|
DB_ACCESS_NUMBER | PPIM2487 |
CID | 100109 |
CHEMBL_ID | |
NSC_ID | NSC334297 |
PDB_CODE | |
Molecular Weight (g/mol) | 354.36 |
XLogP3-AA | 1.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 7 |
Complexity | 530 |
Topological Polar Surface Area (A^2) | 119 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7016942 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2488 |
CID | 100658 |
CHEMBL_ID | |
NSC_ID | NSC340008 |
PDB_CODE | |
Molecular Weight (g/mol) | 368.34 |
XLogP3-AA | -0.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 11 |
Complexity | 544 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7064689 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2489 |
CID | 101142 |
CHEMBL_ID | |
NSC_ID | NSC405645 |
PDB_CODE | |
Molecular Weight (g/mol) | 348.75 |
XLogP3-AA | 2.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 537 |
Topological Polar Surface Area (A^2) | 134 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7171004 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2490 |
CID | 101409 |
CHEMBL_ID | |
NSC_ID | NSC512921 |
PDB_CODE | |
Molecular Weight (g/mol) | 372.41 |
XLogP3-AA | 4.4 |
Hydrogen Bond Donor Count | 6 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 0 |
Complexity | 552 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7014356 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2491 |
CID | 101425 |
CHEMBL_ID | |
NSC_ID | NSC516276 |
PDB_CODE | |
Molecular Weight (g/mol) | 334.35 |
XLogP3-AA | 0.4 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 523 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7260437 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2492 |
CID | 1121572 |
CHEMBL_ID | CHEMBL2094899 |
NSC_ID | NSC731238 |
PDB_CODE | |
Molecular Weight (g/mol) | 366.39 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 551 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 756 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7133773 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2493 |
CID | 1549821 |
CHEMBL_ID | |
NSC_ID | NSC409044 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.38 |
XLogP3-AA | 4.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Complexity | 530 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7254258 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2494 |
CID | 225494 |
CHEMBL_ID | |
NSC_ID | NSC14997 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.37 |
XLogP3-AA | 0.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 7 |
Complexity | 519 |
Topological Polar Surface Area (A^2) | 135 |
Heavy Atom Count | 21 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7198242 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2495 |
CID | 2263390 |
CHEMBL_ID | CHEMBL3115911 |
NSC_ID | NSC731222 |
PDB_CODE | |
Molecular Weight (g/mol) | 345.38 |
XLogP3-AA | 3.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 516 |
Topological Polar Surface Area (A^2) | 138 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 580 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7019519 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2496 |
CID | 230360 |
CHEMBL_ID | |
NSC_ID | NSC25182 |
PDB_CODE | |
Molecular Weight (g/mol) | 350.34 |
XLogP3-AA | 2.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 537 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7318282 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2497 |
CID | 235562 |
CHEMBL_ID | |
NSC_ID | NSC37105 |
PDB_CODE | |
Molecular Weight (g/mol) | 367.09 |
XLogP3-AA | 3.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 0 |
Complexity | 551 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7107925 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2498 |
CID | 237420 |
CHEMBL_ID | |
NSC_ID | NSC40857 |
PDB_CODE | |
Molecular Weight (g/mol) | 329.30 |
XLogP3-AA | 0.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 11 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7084442 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2499 |
CID | 24195152 |
CHEMBL_ID | CHEMBL2002503 |
NSC_ID | NSC176637 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.31 |
XLogP3-AA | 3.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Complexity | 537 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7093934 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2500 |
CID | 24202956 |
CHEMBL_ID | |
NSC_ID | NSC726384 |
PDB_CODE | |
Molecular Weight (g/mol) | 343.29 |
XLogP3-AA | 1.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 529 |
Topological Polar Surface Area (A^2) | 137 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7258252 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2501 |
CID | 24203333 |
CHEMBL_ID | |
NSC_ID | NSC727562 |
PDB_CODE | |
Molecular Weight (g/mol) | 338.38 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 529 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7026868 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2502 |
CID | 24203991 |
CHEMBL_ID | |
NSC_ID | NSC730312 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.40 |
XLogP3-AA | 3.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 513 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7353785 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2503 |
CID | 24204200 |
CHEMBL_ID | |
NSC_ID | NSC730955 |
PDB_CODE | |
Molecular Weight (g/mol) | 368.45 |
XLogP3-AA | 4.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 7 |
Complexity | 542 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7212528 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2504 |
CID | 24205699 |
CHEMBL_ID | |
NSC_ID | NSC736398 |
PDB_CODE | |
Molecular Weight (g/mol) | 358.36 |
XLogP3-AA | 3.8 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 4 |
Complexity | 546 |
Topological Polar Surface Area (A^2) | 123 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7195423 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2505 |
CID | 24205874 |
CHEMBL_ID | |
NSC_ID | NSC737056 |
PDB_CODE | |
Molecular Weight (g/mol) | 325.39 |
XLogP3-AA | 2.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Complexity | 519 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7226928 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2506 |
CID | 242943 |
CHEMBL_ID | |
NSC_ID | NSC52055 |
PDB_CODE | |
Molecular Weight (g/mol) | 368.40 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Complexity | 540 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 28 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7068579 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2507 |
CID | 243231 |
CHEMBL_ID | CHEMBL1723106 |
NSC_ID | NSC52583 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.31 |
XLogP3-AA | 4.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 118 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7016034 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2508 |
CID | 247217 |
CHEMBL_ID | |
NSC_ID | NSC61583 |
PDB_CODE | |
Molecular Weight (g/mol) | 374.39 |
XLogP3-AA | 1.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 0 |
Complexity | 556 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7007923 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2509 |
CID | 2511406 |
CHEMBL_ID | |
NSC_ID | NSC745816 |
PDB_CODE | |
Molecular Weight (g/mol) | 362.37 |
XLogP3-AA | 2.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 547 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7253069 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2510 |
CID | 252820 |
CHEMBL_ID | |
NSC_ID | NSC75059 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.36 |
XLogP3-AA | 4.6 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Complexity | 541 |
Topological Polar Surface Area (A^2) | 123 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7275963 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2511 |
CID | 254614 |
CHEMBL_ID | CHEMBL1871481 |
NSC_ID | NSC79073 |
PDB_CODE | |
Molecular Weight (g/mol) | 329.30 |
XLogP3-AA | -2 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 3 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 132 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7210277 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2512 |
CID | 254766 |
CHEMBL_ID | |
NSC_ID | NSC79328 |
PDB_CODE | |
Molecular Weight (g/mol) | 370.24 |
XLogP3-AA | 3.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Complexity | 540 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7028722 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2513 |
CID | 257337 |
CHEMBL_ID | |
NSC_ID | NSC85306 |
PDB_CODE | |
Molecular Weight (g/mol) | 326.37 |
XLogP3-AA | -0.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 503 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7011213 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2514 |
CID | 257491 |
CHEMBL_ID | |
NSC_ID | NSC85544 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.31 |
XLogP3-AA | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 517 |
Topological Polar Surface Area (A^2) | 134 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7396433 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2515 |
CID | 259796 |
CHEMBL_ID | |
NSC_ID | NSC90373 |
PDB_CODE | |
Molecular Weight (g/mol) | 349.34 |
XLogP3-AA | -0.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Complexity | 534 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7246168 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2516 |
CID | 262229 |
CHEMBL_ID | |
NSC_ID | NSC95667 |
PDB_CODE | |
Molecular Weight (g/mol) | 362.4 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 547 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7233873 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2517 |
CID | 262382 |
CHEMBL_ID | |
NSC_ID | NSC95840 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.31 |
XLogP3-AA | 4.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 118 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7016737 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2518 |
CID | 263477 |
CHEMBL_ID | |
NSC_ID | NSC97951 |
PDB_CODE | |
Molecular Weight (g/mol) | 327.33 |
XLogP3-AA | -3.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 523 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7001135 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2519 |
CID | 267119 |
CHEMBL_ID | |
NSC_ID | NSC106235 |
PDB_CODE | |
Molecular Weight (g/mol) | 343.33 |
XLogP3-AA | 3.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 517 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7174733 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2520 |
CID | 267143 |
CHEMBL_ID | |
NSC_ID | NSC106260 |
PDB_CODE | |
Molecular Weight (g/mol) | 370.36 |
XLogP3-AA | 1.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 9 |
Complexity | 544 |
Topological Polar Surface Area (A^2) | 122 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7046756 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2521 |
CID | 269654 |
CHEMBL_ID | |
NSC_ID | NSC111104 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.43 |
XLogP3-AA | 1.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7234428 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2522 |
CID | 270834 |
CHEMBL_ID | |
NSC_ID | NSC113919 |
PDB_CODE | |
Molecular Weight (g/mol) | 354.30 |
XLogP3-AA | 2.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7209685 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2523 |
CID | 275365 |
CHEMBL_ID | |
NSC_ID | NSC122133 |
PDB_CODE | |
Molecular Weight (g/mol) | 353.32 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 544 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7164787 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2524 |
CID | 275685 |
CHEMBL_ID | CHEMBL1489424 |
NSC_ID | NSC122657 |
PDB_CODE | |
Molecular Weight (g/mol) | 322.29 |
XLogP3-AA | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Complexity | 512 |
Topological Polar Surface Area (A^2) | 134 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | HIF1A, CYP3A4, ALDH1A1, ALOX12, ALOX15, CASP1 |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7167358 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2525 |
CID | 278799 |
CHEMBL_ID | CHEMBL170642 |
NSC_ID | NSC128727 |
PDB_CODE | |
Molecular Weight (g/mol) | 341.37 |
XLogP3-AA | 1.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 5 |
Complexity | 507 |
Topological Polar Surface Area (A^2) | 132 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.702205 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2526 |
CID | 279854 |
CHEMBL_ID | |
NSC_ID | NSC131150 |
PDB_CODE | |
Molecular Weight (g/mol) | 344.27 |
XLogP3-AA | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Complexity | 522 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7470504 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2527 |
CID | 280976 |
CHEMBL_ID | |
NSC_ID | NSC133406 |
PDB_CODE | |
Molecular Weight (g/mol) | 338.29 |
XLogP3-AA | 2.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 511 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7139655 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2528 |
CID | 281598 |
CHEMBL_ID | |
NSC_ID | NSC134448 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.42 |
XLogP3-AA | -1 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 10 |
Complexity | 518 |
Topological Polar Surface Area (A^2) | 134 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7148308 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2529 |
CID | 283686 |
CHEMBL_ID | |
NSC_ID | NSC138663 |
PDB_CODE | |
Molecular Weight (g/mol) | 332.32 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Complexity | 510 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7250194 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2530 |
CID | 283687 |
CHEMBL_ID | |
NSC_ID | NSC138664 |
PDB_CODE | |
Molecular Weight (g/mol) | 332.32 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Complexity | 518 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7356388 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2531 |
CID | 284679 |
CHEMBL_ID | |
NSC_ID | NSC140833 |
PDB_CODE | |
Molecular Weight (g/mol) | 351.39 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 521 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7224541 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2532 |
CID | 284731 |
CHEMBL_ID | CHEMBL1982931 |
NSC_ID | NSC140911 |
PDB_CODE | |
Molecular Weight (g/mol) | 332.41 |
XLogP3-AA | 5.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 513 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 21 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7351502 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2533 |
CID | 285258 |
CHEMBL_ID | |
NSC_ID | NSC142074 |
PDB_CODE | |
Molecular Weight (g/mol) | 332.41 |
XLogP3-AA | 5.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 513 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 21 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7351502 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2534 |
CID | 285738 |
CHEMBL_ID | |
NSC_ID | NSC143163 |
PDB_CODE | |
Molecular Weight (g/mol) | 345.31 |
XLogP3-AA | 0.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 3 |
Complexity | 540 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7088753 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2535 |
CID | 286004 |
CHEMBL_ID | |
NSC_ID | NSC143679 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.32 |
XLogP3-AA | -0.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 3 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7250629 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2536 |
CID | 286223 |
CHEMBL_ID | |
NSC_ID | NSC144081 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.36 |
XLogP3-AA | 1.6 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7329037 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2537 |
CID | 286740 |
CHEMBL_ID | |
NSC_ID | NSC145886 |
PDB_CODE | |
Molecular Weight (g/mol) | 334.33 |
XLogP3-AA | -0.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.730194 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2538 |
CID | 286915 |
CHEMBL_ID | |
NSC_ID | NSC146138 |
PDB_CODE | |
Molecular Weight (g/mol) | 337.30 |
XLogP3-AA | 2.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 528 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7169978 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2539 |
CID | 288191 |
CHEMBL_ID | |
NSC_ID | NSC148928 |
PDB_CODE | |
Molecular Weight (g/mol) | 356.33 |
XLogP3-AA | 4.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Complexity | 535 |
Topological Polar Surface Area (A^2) | 118 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7022388 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2540 |
CID | 289383 |
CHEMBL_ID | |
NSC_ID | NSC151120 |
PDB_CODE | |
Molecular Weight (g/mol) | 329.26 |
XLogP3-AA | 2.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 512 |
Topological Polar Surface Area (A^2) | 138 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7177204 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2541 |
CID | 289386 |
CHEMBL_ID | CHEMBL2135801 |
NSC_ID | NSC151123 |
PDB_CODE | |
Molecular Weight (g/mol) | 370.36 |
XLogP3-AA | 2.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 8 |
Complexity | 555 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7116357 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2542 |
CID | 291933 |
CHEMBL_ID | CHEMBL173574 |
NSC_ID | NSC157505 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.36 |
XLogP3-AA | 1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 9 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 134 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 200000 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7093507 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2543 |
CID | 297857 |
CHEMBL_ID | |
NSC_ID | NSC169158 |
PDB_CODE | |
Molecular Weight (g/mol) | 363.37 |
XLogP3-AA | 0.4 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 8 |
Complexity | 533 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7086111 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2544 |
CID | 3004315 |
CHEMBL_ID | CHEMBL1970291 |
NSC_ID | NSC644738 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.47 |
XLogP3-AA | 3.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7013174 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2545 |
CID | 3004351 |
CHEMBL_ID | |
NSC_ID | NSC647314 |
PDB_CODE | |
Molecular Weight (g/mol) | 341.39 |
XLogP3-AA | 3.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 530 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7243361 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2546 |
CID | 3004745 |
CHEMBL_ID | |
NSC_ID | NSC659679 |
PDB_CODE | |
Molecular Weight (g/mol) | 367.42 |
XLogP3-AA | 3.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Complexity | 545 |
Topological Polar Surface Area (A^2) | 119 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7028961 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2547 |
CID | 3005882 |
CHEMBL_ID | |
NSC_ID | NSC700063 |
PDB_CODE | |
Molecular Weight (g/mol) | 361.8 |
XLogP3-AA | 3.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Complexity | 539 |
Topological Polar Surface Area (A^2) | 123 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7210385 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2548 |
CID | 304487 |
CHEMBL_ID | |
NSC_ID | NSC196576 |
PDB_CODE | |
Molecular Weight (g/mol) | 350.34 |
XLogP3-AA | 4.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 540 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7192455 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2549 |
CID | 305190 |
CHEMBL_ID | |
NSC_ID | NSC201942 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.38 |
XLogP3-AA | 2.7 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Complexity | 528 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7162436 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2550 |
CID | 305468 |
CHEMBL_ID | |
NSC_ID | NSC202447 |
PDB_CODE | |
Molecular Weight (g/mol) | 373.36 |
XLogP3-AA | 4.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 559 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7050918 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2551 |
CID | 308438 |
CHEMBL_ID | |
NSC_ID | NSC210237 |
PDB_CODE | |
Molecular Weight (g/mol) | 354.30 |
XLogP3-AA | 2.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7214823 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2552 |
CID | 308459 |
CHEMBL_ID | |
NSC_ID | NSC210258 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.28 |
XLogP3-AA | 2.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 536 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7077907 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2553 |
CID | 308460 |
CHEMBL_ID | |
NSC_ID | NSC210259 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.28 |
XLogP3-AA | 2.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 528 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7364031 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2554 |
CID | 308915 |
CHEMBL_ID | |
NSC_ID | NSC211037 |
PDB_CODE | |
Molecular Weight (g/mol) | 354.30 |
XLogP3-AA | 2.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7214823 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2555 |
CID | 308939 |
CHEMBL_ID | |
NSC_ID | NSC211068 |
PDB_CODE | |
Molecular Weight (g/mol) | 355.41 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 524 |
Topological Polar Surface Area (A^2) | 132 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7193406 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2556 |
CID | 3094794 |
CHEMBL_ID | CHEMBL1406881 |
NSC_ID | NSC408197 |
PDB_CODE | |
Molecular Weight (g/mol) | 321.30 |
XLogP3-AA | 1.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 505 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7056395 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2557 |
CID | 311764 |
CHEMBL_ID | |
NSC_ID | NSC217301 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.31 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 523 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7377079 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2558 |
CID | 311768 |
CHEMBL_ID | CHEMBL1986217 |
NSC_ID | NSC217307 |
PDB_CODE | |
Molecular Weight (g/mol) | 334.28 |
XLogP3-AA | 1.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 6 |
Complexity | 531 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7074482 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2559 |
CID | 313612 |
CHEMBL_ID | CHEMBL1360942 |
NSC_ID | NSC228148 |
PDB_CODE | |
Molecular Weight (g/mol) | 319.29 |
XLogP3-AA | 1.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Complexity | 509 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | CYP2C9, ALDH1A1, ALOX15B, ALOX15, CASP1 |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7002528 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2560 |
CID | 314751 |
CHEMBL_ID | |
NSC_ID | NSC234308 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.33 |
XLogP3-AA | 1.4 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Complexity | 537 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7089572 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2561 |
CID | 315789 |
CHEMBL_ID | |
NSC_ID | NSC241603 |
PDB_CODE | |
Molecular Weight (g/mol) | 354.76 |
XLogP3-AA | 1.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 523 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7120091 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2562 |
CID | 318920 |
CHEMBL_ID | |
NSC_ID | NSC259914 |
PDB_CODE | |
Molecular Weight (g/mol) | 333.72 |
XLogP3-AA | -1.2 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 511 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7178267 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2563 |
CID | 322179 |
CHEMBL_ID | |
NSC_ID | NSC278307 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.42 |
XLogP3-AA | 0.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 531 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7177295 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2564 |
CID | 324810 |
CHEMBL_ID | |
NSC_ID | NSC291541 |
PDB_CODE | |
Molecular Weight (g/mol) | 320.33 |
XLogP3-AA | 4.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Complexity | 515 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 21 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7100437 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2565 |
CID | 325242 |
CHEMBL_ID | |
NSC_ID | NSC293548 |
PDB_CODE | |
Molecular Weight (g/mol) | 337.33 |
XLogP3-AA | -1.2 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Complexity | 528 |
Topological Polar Surface Area (A^2) | 132 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7260647 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2566 |
CID | 326212 |
CHEMBL_ID | |
NSC_ID | NSC297095 |
PDB_CODE | |
Molecular Weight (g/mol) | 323.31 |
XLogP3-AA | 3.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 1 |
Complexity | 512 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7180675 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2567 |
CID | 328149 |
CHEMBL_ID | |
NSC_ID | NSC305809 |
PDB_CODE | |
Molecular Weight (g/mol) | 343.40 |
XLogP3-AA | 1.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Complexity | 527 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7331312 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2568 |
CID | 328723 |
CHEMBL_ID | |
NSC_ID | NSC308795 |
PDB_CODE | |
Molecular Weight (g/mol) | 349.40 |
XLogP3-AA | 1.6 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 524 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7363971 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2569 |
CID | 330087 |
CHEMBL_ID | |
NSC_ID | NSC315832 |
PDB_CODE | |
Molecular Weight (g/mol) | 338.32 |
XLogP3-AA | -1.4 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 6 |
Complexity | 529 |
Topological Polar Surface Area (A^2) | 135 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7161426 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2570 |
CID | 332470 |
CHEMBL_ID | |
NSC_ID | NSC329290 |
PDB_CODE | |
Molecular Weight (g/mol) | 357.38 |
XLogP3-AA | 4.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 1 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 120 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.703192 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2571 |
CID | 333766 |
CHEMBL_ID | |
NSC_ID | NSC337744 |
PDB_CODE | |
Molecular Weight (g/mol) | 369.35 |
XLogP3-AA | 4.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Complexity | 554 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7046971 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2572 |
CID | 334296 |
CHEMBL_ID | |
NSC_ID | NSC338953 |
PDB_CODE | |
Molecular Weight (g/mol) | 343.72 |
XLogP3-AA | -1.5 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 138 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7034896 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2573 |
CID | 335211 |
CHEMBL_ID | |
NSC_ID | NSC343657 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.36 |
XLogP3-AA | 0.9 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 506 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7098566 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2574 |
CID | 335728 |
CHEMBL_ID | |
NSC_ID | NSC346535 |
PDB_CODE | |
Molecular Weight (g/mol) | 328.28 |
XLogP3-AA | 3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Complexity | 519 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7285895 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2575 |
CID | 336813 |
CHEMBL_ID | |
NSC_ID | NSC352272 |
PDB_CODE | |
Molecular Weight (g/mol) | 323.30 |
XLogP3-AA | -1.1 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 511 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7087824 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2576 |
CID | 336814 |
CHEMBL_ID | |
NSC_ID | NSC352273 |
PDB_CODE | |
Molecular Weight (g/mol) | 327.33 |
XLogP3-AA | -1.3 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 511 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.702273 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2577 |
CID | 336970 |
CHEMBL_ID | |
NSC_ID | NSC353299 |
PDB_CODE | |
Molecular Weight (g/mol) | 337.39 |
XLogP3-AA | 0.3 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 123 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7142024 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2578 |
CID | 337963 |
CHEMBL_ID | CHEMBL564890 |
NSC_ID | NSC358289 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.42 |
XLogP3-AA | 4.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 524 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7115651 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2579 |
CID | 339442 |
CHEMBL_ID | |
NSC_ID | NSC366122 |
PDB_CODE | |
Molecular Weight (g/mol) | 330.3 |
XLogP3-AA | 0.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 512 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7009934 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2580 |
CID | 339443 |
CHEMBL_ID | |
NSC_ID | NSC366123 |
PDB_CODE | |
Molecular Weight (g/mol) | 330.3 |
XLogP3-AA | 0.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 512 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.701286 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2581 |
CID | 341847 |
CHEMBL_ID | CHEMBL1973162 |
NSC_ID | NSC375868 |
PDB_CODE | |
Molecular Weight (g/mol) | 344.36 |
XLogP3-AA | -0.8 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 3 |
Complexity | 522 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 4 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7249802 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2582 |
CID | 342713 |
CHEMBL_ID | |
NSC_ID | NSC380302 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.41 |
XLogP3-AA | 0.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 547 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7174396 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2583 |
CID | 343738 |
CHEMBL_ID | |
NSC_ID | NSC400216 |
PDB_CODE | |
Molecular Weight (g/mol) | 351.42 |
XLogP3-AA | 2.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 123 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7234979 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2584 |
CID | 344248 |
CHEMBL_ID | |
NSC_ID | NSC401047 |
PDB_CODE | |
Molecular Weight (g/mol) | 376.43 |
XLogP3-AA | 1.9 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 9 |
Complexity | 550 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7003814 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2585 |
CID | 346529 |
CHEMBL_ID | CHEMBL581904 |
NSC_ID | NSC404788 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.33 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7134879 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2586 |
CID | 348069 |
CHEMBL_ID | |
NSC_ID | NSC407103 |
PDB_CODE | |
Molecular Weight (g/mol) | 331.27 |
XLogP3-AA | -0.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 7 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7207426 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2587 |
CID | 350914 |
CHEMBL_ID | |
NSC_ID | NSC516738 |
PDB_CODE | |
Molecular Weight (g/mol) | 344.28 |
XLogP3-AA | 2.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 527 |
Topological Polar Surface Area (A^2) | 141 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7023712 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2588 |
CID | 352877 |
CHEMBL_ID | |
NSC_ID | NSC528640 |
PDB_CODE | |
Molecular Weight (g/mol) | 355.40 |
XLogP3-AA | 3.9 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 542 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.733485 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2589 |
CID | 353113 |
CHEMBL_ID | |
NSC_ID | NSC600271 |
PDB_CODE | |
Molecular Weight (g/mol) | 367.41 |
XLogP3-AA | 1.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Complexity | 551 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7132779 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2590 |
CID | 353120 |
CHEMBL_ID | |
NSC_ID | NSC600278 |
PDB_CODE | |
Molecular Weight (g/mol) | 339.29 |
XLogP3-AA | 0.8 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Complexity | 517 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7088602 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2591 |
CID | 353302 |
CHEMBL_ID | |
NSC_ID | NSC601083 |
PDB_CODE | |
Molecular Weight (g/mol) | 332.35 |
XLogP3-AA | 0.3 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 21 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7152298 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2592 |
CID | 355762 |
CHEMBL_ID | |
NSC_ID | NSC609971 |
PDB_CODE | |
Molecular Weight (g/mol) | 319.33 |
XLogP3-AA | 1.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.70428 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2593 |
CID | 355764 |
CHEMBL_ID | |
NSC_ID | NSC609973 |
PDB_CODE | |
Molecular Weight (g/mol) | 367.80 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Complexity | 549 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7176416 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2594 |
CID | 357198 |
CHEMBL_ID | CHEMBL52570 |
NSC_ID | NSC615302 |
PDB_CODE | |
Molecular Weight (g/mol) | 349.40 |
XLogP3-AA | 0.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 536 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7038313 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2595 |
CID | 360258 |
CHEMBL_ID | CHEMBL40666 |
NSC_ID | NSC622280 |
PDB_CODE | |
Molecular Weight (g/mol) | 349.36 |
XLogP3-AA | 1 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 2750 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7319134 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2596 |
CID | 360892 |
CHEMBL_ID | CHEMBL1967490 |
NSC_ID | NSC623600 |
PDB_CODE | |
Molecular Weight (g/mol) | 337.33 |
XLogP3-AA | -0.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 138 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7058833 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2597 |
CID | 362691 |
CHEMBL_ID | CHEMBL416599 |
NSC_ID | NSC626930 |
PDB_CODE | |
Molecular Weight (g/mol) | 322.29 |
XLogP3-AA | 2.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 516 |
Topological Polar Surface Area (A^2) | 138 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7012355 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2598 |
CID | 362696 |
CHEMBL_ID | CHEMBL1907949 |
NSC_ID | NSC626935 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.31 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 138 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 980000 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7166931 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2599 |
CID | 362697 |
CHEMBL_ID | CHEMBL1907773 |
NSC_ID | NSC626936 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.31 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 138 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 8600 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7166931 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2600 |
CID | 362701 |
CHEMBL_ID | |
NSC_ID | NSC626940 |
PDB_CODE | |
Molecular Weight (g/mol) | 368.78 |
XLogP3-AA | 1.9 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 547 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (Method Of Treating Disease With Sulfonylamino Acid Derivatives) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7031568 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2601 |
CID | 362728 |
CHEMBL_ID | CHEMBL34976 |
NSC_ID | NSC626983 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.31 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 533 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 3600 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7103062 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2602 |
CID | 362729 |
CHEMBL_ID | CHEMBL286389 |
NSC_ID | NSC626984 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.31 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 533 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 1300 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7103062 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2603 |
CID | 362730 |
CHEMBL_ID | CHEMBL37003 |
NSC_ID | NSC626985 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.31 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 4400 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7373734 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2604 |
CID | 362843 |
CHEMBL_ID | CHEMBL1989462 |
NSC_ID | NSC627216 |
PDB_CODE | |
Molecular Weight (g/mol) | 348.37 |
XLogP3-AA | 1.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 7 |
Complexity | 529 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7118432 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2605 |
CID | 363427 |
CHEMBL_ID | CHEMBL1998413 |
NSC_ID | NSC628338 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.32 |
XLogP3-AA | -0.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Complexity | 524 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.726343 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2606 |
CID | 364270 |
CHEMBL_ID | CHEMBL1990467 |
NSC_ID | NSC630287 |
PDB_CODE | |
Molecular Weight (g/mol) | 363.37 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7217127 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2607 |
CID | 365126 |
CHEMBL_ID | CHEMBL1986137 |
NSC_ID | NSC632226 |
PDB_CODE | |
Molecular Weight (g/mol) | 347.40 |
XLogP3-AA | 1.8 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 527 |
Topological Polar Surface Area (A^2) | 139 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7085319 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2608 |
CID | 366580 |
CHEMBL_ID | |
NSC_ID | NSC635206 |
PDB_CODE | |
Molecular Weight (g/mol) | 321.30 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7039526 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2609 |
CID | 366582 |
CHEMBL_ID | |
NSC_ID | NSC635208 |
PDB_CODE | |
Molecular Weight (g/mol) | 355.74 |
XLogP3-AA | 2.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 547 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7049145 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2610 |
CID | 366855 |
CHEMBL_ID | CHEMBL1412258 |
NSC_ID | NSC635834 |
PDB_CODE | |
Molecular Weight (g/mol) | 343.35 |
XLogP3-AA | 2.6 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 510 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7160278 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2611 |
CID | 367658 |
CHEMBL_ID | CHEMBL1980081 |
NSC_ID | NSC637536 |
PDB_CODE | |
Molecular Weight (g/mol) | 329.31 |
XLogP3-AA | -0.3 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 132 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7273145 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2612 |
CID | 367880 |
CHEMBL_ID | CHEMBL2007392 |
NSC_ID | NSC638046 |
PDB_CODE | |
Molecular Weight (g/mol) | 341.34 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7453912 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2613 |
CID | 371522 |
CHEMBL_ID | CHEMBL1990454 |
NSC_ID | NSC645844 |
PDB_CODE | |
Molecular Weight (g/mol) | 325.40 |
XLogP3-AA | 2.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Complexity | 507 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 21 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7133058 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2614 |
CID | 371636 |
CHEMBL_ID | CHEMBL1996417 |
NSC_ID | NSC646087 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.22 |
XLogP3-AA | -0.7 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 4 |
Complexity | 524 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7357035 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2615 |
CID | 372001 |
CHEMBL_ID | CHEMBL1977308 |
NSC_ID | NSC646817 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.31 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 519 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer and ulcer) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7439351 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2616 |
CID | 372013 |
CHEMBL_ID | CHEMBL1995120 |
NSC_ID | NSC646829 |
PDB_CODE | |
Molecular Weight (g/mol) | 355.30 |
XLogP3-AA | 1.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 4 |
Complexity | 527 |
Topological Polar Surface Area (A^2) | 138 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7027717 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2617 |
CID | 3721620 |
CHEMBL_ID | |
NSC_ID | NSC23599 |
PDB_CODE | |
Molecular Weight (g/mol) | 362.4 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 7 |
Complexity | 544 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7096494 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2618 |
CID | 374169 |
CHEMBL_ID | CHEMBL1980759 |
NSC_ID | NSC651644 |
PDB_CODE | |
Molecular Weight (g/mol) | 360.75 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Complexity | 547 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7035867 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2619 |
CID | 374170 |
CHEMBL_ID | CHEMBL1989204 |
NSC_ID | NSC651645 |
PDB_CODE | |
Molecular Weight (g/mol) | 360.75 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Complexity | 539 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7141253 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2620 |
CID | 374233 |
CHEMBL_ID | CHEMBL1978344 |
NSC_ID | NSC651728 |
PDB_CODE | |
Molecular Weight (g/mol) | 360.44 |
XLogP3-AA | 4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 546 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7185151 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2621 |
CID | 375546 |
CHEMBL_ID | CHEMBL1975290 |
NSC_ID | NSC655334 |
PDB_CODE | |
Molecular Weight (g/mol) | 371.41 |
XLogP3-AA | 1.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7096577 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2622 |
CID | 375629 |
CHEMBL_ID | CHEMBL1995241 |
NSC_ID | NSC655451 |
PDB_CODE | |
Molecular Weight (g/mol) | 352.29 |
XLogP3-AA | 1.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 6 |
Complexity | 546 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7039138 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2623 |
CID | 376217 |
CHEMBL_ID | CHEMBL1992874 |
NSC_ID | NSC656835 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.31 |
XLogP3-AA | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 517 |
Topological Polar Surface Area (A^2) | 134 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7396433 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2624 |
CID | 377200 |
CHEMBL_ID | CHEMBL2004267 |
NSC_ID | NSC658428 |
PDB_CODE | |
Molecular Weight (g/mol) | 330.34 |
XLogP3-AA | -2.8 |
Hydrogen Bond Donor Count | 5 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 4 |
Complexity | 523 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7036758 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2625 |
CID | 378495 |
CHEMBL_ID | CHEMBL2003643 |
NSC_ID | NSC661095 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.77 |
XLogP3-AA | 1.6 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 519 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 20 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7320978 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2626 |
CID | 379794 |
CHEMBL_ID | CHEMBL1974641 |
NSC_ID | NSC664886 |
PDB_CODE | |
Molecular Weight (g/mol) | 324.35 |
XLogP3-AA | 0.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Complexity | 521 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7077774 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2627 |
CID | 381166 |
CHEMBL_ID | CHEMBL2006462 |
NSC_ID | NSC667484 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.3 |
XLogP3-AA | -0.2 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.711859 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2628 |
CID | 381446 |
CHEMBL_ID | CHEMBL1977960 |
NSC_ID | NSC668034 |
PDB_CODE | |
Molecular Weight (g/mol) | 343.38 |
XLogP3-AA | 0.3 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 7 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7134194 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2629 |
CID | 381635 |
CHEMBL_ID | CHEMBL1982412 |
NSC_ID | NSC668457 |
PDB_CODE | |
Molecular Weight (g/mol) | 351.40 |
XLogP3-AA | -0.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 7 |
Complexity | 519 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7106204 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2630 |
CID | 381834 |
CHEMBL_ID | CHEMBL1998608 |
NSC_ID | NSC668907 |
PDB_CODE | |
Molecular Weight (g/mol) | 347.41 |
XLogP3-AA | -0.4 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7039111 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2631 |
CID | 388302 |
CHEMBL_ID | CHEMBL1978945 |
NSC_ID | NSC682992 |
PDB_CODE | |
Molecular Weight (g/mol) | 330.39 |
XLogP3-AA | 4.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 506 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 21 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7049365 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2632 |
CID | 389164 |
CHEMBL_ID | CHEMBL1993577 |
NSC_ID | NSC684848 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.36 |
XLogP3-AA | 1.8 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 9 |
Complexity | 524 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7309541 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2633 |
CID | 3905395 |
CHEMBL_ID | |
NSC_ID | NSC88268 |
PDB_CODE | |
Molecular Weight (g/mol) | 362.33 |
XLogP3-AA | 1.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 7 |
Complexity | 530 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7051847 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2634 |
CID | 391093 |
CHEMBL_ID | CHEMBL1979014 |
NSC_ID | NSC689628 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.34 |
XLogP3-AA | 1.1 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Complexity | 522 |
Topological Polar Surface Area (A^2) | 141 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7022766 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2635 |
CID | 392361 |
CHEMBL_ID | CHEMBL1977844 |
NSC_ID | NSC692645 |
PDB_CODE | |
Molecular Weight (g/mol) | 351.36 |
XLogP3-AA | 1.6 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Complexity | 531 |
Topological Polar Surface Area (A^2) | 122 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7249885 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2636 |
CID | 393674 |
CHEMBL_ID | CHEMBL2005512 |
NSC_ID | NSC696050 |
PDB_CODE | |
Molecular Weight (g/mol) | 339.38 |
XLogP3-AA | 2.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 508 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.705563 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2637 |
CID | 3954182 |
CHEMBL_ID | |
NSC_ID | NSC131428 |
PDB_CODE | |
Molecular Weight (g/mol) | 328.40 |
XLogP3-AA | 2.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 512 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7277066 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2638 |
CID | 399277 |
CHEMBL_ID | |
NSC_ID | NSC709966 |
PDB_CODE | |
Molecular Weight (g/mol) | 341.26 |
XLogP3-AA | -1.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 7 |
Complexity | 526 |
Topological Polar Surface Area (A^2) | 135 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.720567 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2639 |
CID | 399279 |
CHEMBL_ID | |
NSC_ID | NSC709968 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.24 |
XLogP3-AA | -0.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 7 |
Complexity | 513 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7061366 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2640 |
CID | 399816 |
CHEMBL_ID | CHEMBL2007326 |
NSC_ID | NSC710914 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.35 |
XLogP3-AA | 0.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 531 |
Topological Polar Surface Area (A^2) | 122 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7008082 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2641 |
CID | 401212 |
CHEMBL_ID | |
NSC_ID | NSC714416 |
PDB_CODE | |
Molecular Weight (g/mol) | 370.40 |
XLogP3-AA | -1.7 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 7 |
Complexity | 551 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7079584 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2642 |
CID | 401240 |
CHEMBL_ID | |
NSC_ID | NSC714447 |
PDB_CODE | |
Molecular Weight (g/mol) | 331.77 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Complexity | 526 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7064546 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2643 |
CID | 403847 |
CHEMBL_ID | CHEMBL1964680 |
NSC_ID | NSC719381 |
PDB_CODE | |
Molecular Weight (g/mol) | 328.47 |
XLogP3-AA | 3.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 515 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 19 |
Defined Atom Stereocenter Count | 4 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7147207 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2644 |
CID | 406662 |
CHEMBL_ID | |
NSC_ID | NSC724902 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.77 |
XLogP3-AA | 1.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 517 |
Topological Polar Surface Area (A^2) | 134 |
Heavy Atom Count | 20 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7265975 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2645 |
CID | 4125795 |
CHEMBL_ID | |
NSC_ID | NSC746345 |
PDB_CODE | |
Molecular Weight (g/mol) | 358.41 |
XLogP3-AA | 3.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Complexity | 533 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7353352 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2646 |
CID | 434213 |
CHEMBL_ID | |
NSC_ID | NSC345668 |
PDB_CODE | |
Molecular Weight (g/mol) | 341.38 |
XLogP3-AA | -0.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 7 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes( Useful for treament in cancer and viral diseases) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | 25117199 |
Protein-Protein Interaction Modulator SVM score | 1.734157 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2647 |
CID | 45028968 |
CHEMBL_ID | |
NSC_ID | NSC745071 |
PDB_CODE | |
Molecular Weight (g/mol) | 358.37 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 541 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7259643 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2648 |
CID | 45028969 |
CHEMBL_ID | |
NSC_ID | NSC745072 |
PDB_CODE | |
Molecular Weight (g/mol) | 358.37 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 541 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7259643 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2649 |
CID | 4569488 |
CHEMBL_ID | |
NSC_ID | NSC317050 |
PDB_CODE | |
Molecular Weight (g/mol) | 360.21 |
XLogP3-AA | 1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Complexity | 530 |
Topological Polar Surface Area (A^2) | 132 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7046066 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2650 |
CID | 46186589 |
CHEMBL_ID | |
NSC_ID | NSC751048 |
PDB_CODE | |
Molecular Weight (g/mol) | 324.36 |
XLogP3-AA | 1.7 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 135 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7215142 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2651 |
CID | 50990444 |
CHEMBL_ID | |
NSC_ID | NSC606416 |
PDB_CODE | |
Molecular Weight (g/mol) | 347.36 |
XLogP3-AA | -0.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 3 |
Complexity | 541 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7040372 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2652 |
CID | 5222453 |
CHEMBL_ID | |
NSC_ID | NSC137995 |
PDB_CODE | |
Molecular Weight (g/mol) | 326.27 |
XLogP3-AA | 3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 517 |
Topological Polar Surface Area (A^2) | 140 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7054812 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2653 |
CID | 5228004 |
CHEMBL_ID | |
NSC_ID | NSC400202 |
PDB_CODE | |
Molecular Weight (g/mol) | 325.43 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Complexity | 513 |
Topological Polar Surface Area (A^2) | 123 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7031848 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2654 |
CID | 5354945 |
CHEMBL_ID | |
NSC_ID | NSC22640 |
PDB_CODE | |
Molecular Weight (g/mol) | 337.41 |
XLogP3-AA | 1.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7252974 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2655 |
CID | 5358633 |
CHEMBL_ID | |
NSC_ID | NSC269219 |
PDB_CODE | |
Molecular Weight (g/mol) | 322.33 |
XLogP3-AA | 1.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Complexity | 510 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes( Useful for treament incancer and bacterial diseases) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7057508 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2656 |
CID | 5380580 |
CHEMBL_ID | |
NSC_ID | NSC100803 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.40 |
XLogP3-AA | 2.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7160062 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2657 |
CID | 5380581 |
CHEMBL_ID | |
NSC_ID | NSC100804 |
PDB_CODE | |
Molecular Weight (g/mol) | 367.20 |
XLogP3-AA | 3.8 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Complexity | 541 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7152122 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2658 |
CID | 5384996 |
CHEMBL_ID | |
NSC_ID | NSC372897 |
PDB_CODE | |
Molecular Weight (g/mol) | 336.42 |
XLogP3-AA | 3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 515 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7323669 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2659 |
CID | 5388164 |
CHEMBL_ID | CHEMBL1971000 |
NSC_ID | NSC632932 |
PDB_CODE | |
Molecular Weight (g/mol) | 326.31 |
XLogP3-AA | 0.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Complexity | 509 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7258064 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2660 |
CID | 54604613 |
CHEMBL_ID | |
NSC_ID | NSC329106 |
PDB_CODE | |
Molecular Weight (g/mol) | 323.32 |
XLogP3-AA | 1.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 519 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7133656 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2661 |
CID | 54606727 |
CHEMBL_ID | |
NSC_ID | NSC150049 |
PDB_CODE | |
Molecular Weight (g/mol) | 358.46 |
XLogP3-AA | 3.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Complexity | 538 |
Topological Polar Surface Area (A^2) | 122 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7234574 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2662 |
CID | 54607063 |
CHEMBL_ID | |
NSC_ID | NSC216779 |
PDB_CODE | |
Molecular Weight (g/mol) | 359.31 |
XLogP3-AA | 1.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Complexity | 531 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.729195 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2663 |
CID | 54607064 |
CHEMBL_ID | |
NSC_ID | NSC216783 |
PDB_CODE | |
Molecular Weight (g/mol) | 355.35 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Complexity | 526 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.730675 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2664 |
CID | 54607758 |
CHEMBL_ID | |
NSC_ID | NSC356229 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.42 |
XLogP3-AA | 3.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Complexity | 546 |
Topological Polar Surface Area (A^2) | 119 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7039483 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2665 |
CID | 54609988 |
CHEMBL_ID | |
NSC_ID | NSC104126 |
PDB_CODE | |
Molecular Weight (g/mol) | 360.37 |
XLogP3-AA | 2.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 535 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.716382 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2666 |
CID | 54610171 |
CHEMBL_ID | |
NSC_ID | NSC144659 |
PDB_CODE | |
Molecular Weight (g/mol) | 368.39 |
XLogP3-AA | 1.1 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 8 |
Complexity | 538 |
Topological Polar Surface Area (A^2) | 123 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.700548 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2667 |
CID | 54612216 |
CHEMBL_ID | |
NSC_ID | NSC315173 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.84 |
XLogP3-AA | 2.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Complexity | 542 |
Topological Polar Surface Area (A^2) | 122 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7135807 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2668 |
CID | 54612325 |
CHEMBL_ID | |
NSC_ID | NSC209514 |
PDB_CODE | |
Molecular Weight (g/mol) | 353.4 |
XLogP3-AA | 2.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Complexity | 524 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7259137 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2669 |
CID | 5464757 |
CHEMBL_ID | |
NSC_ID | NSC81327 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.40 |
XLogP3-AA | 2.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 121 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7160062 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2670 |
CID | 5465002 |
CHEMBL_ID | CHEMBL1976128 |
NSC_ID | NSC630321 |
PDB_CODE | |
Molecular Weight (g/mol) | 373.33 |
XLogP3-AA | 0.3 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 7 |
Complexity | 551 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7098828 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2671 |
CID | 5465056 |
CHEMBL_ID | CHEMBL1995149 |
NSC_ID | NSC632024 |
PDB_CODE | |
Molecular Weight (g/mol) | 352.83 |
XLogP3-AA | 3.3 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Complexity | 522 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7207353 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2672 |
CID | 5465711 |
CHEMBL_ID | |
NSC_ID | NSC659635 |
PDB_CODE | |
Molecular Weight (g/mol) | 318.35 |
XLogP3-AA | 1.6 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7029291 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2673 |
CID | 5465749 |
CHEMBL_ID | |
NSC_ID | NSC660020 |
PDB_CODE | |
Molecular Weight (g/mol) | 359.18 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Complexity | 533 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7183405 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2674 |
CID | 5465777 |
CHEMBL_ID | CHEMBL1997243 |
NSC_ID | NSC661174 |
PDB_CODE | |
Molecular Weight (g/mol) | 353.4 |
XLogP3-AA | 3.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 6 |
Complexity | 518 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7094375 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2675 |
CID | 54715262 |
CHEMBL_ID | |
NSC_ID | NSC95393 |
PDB_CODE | |
Molecular Weight (g/mol) | 349.34 |
XLogP3-AA | 3.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 10 |
Complexity | 539 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7127985 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2676 |
CID | 54717787 |
CHEMBL_ID | |
NSC_ID | NSC95391 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.31 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 9 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7196198 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2677 |
CID | 5473186 |
CHEMBL_ID | |
NSC_ID | NSC724365 |
PDB_CODE | |
Molecular Weight (g/mol) | 343.43 |
XLogP3-AA | 4.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Complexity | 518 |
Topological Polar Surface Area (A^2) | 132 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7354904 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2678 |
CID | 5494332 |
CHEMBL_ID | CHEMBL2006862 |
NSC_ID | NSC649051 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.4 |
XLogP3-AA | 3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 527 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7286013 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2679 |
CID | 5792639 |
CHEMBL_ID | |
NSC_ID | NSC47139 |
PDB_CODE | |
Molecular Weight (g/mol) | 320.30 |
XLogP3-AA | 3.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 508 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7001572 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2680 |
CID | 5814880 |
CHEMBL_ID | CHEMBL1984418 |
NSC_ID | NSC640571 |
PDB_CODE | |
Molecular Weight (g/mol) | 354.44 |
XLogP3-AA | 4.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 137 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7057597 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2681 |
CID | 5911712 |
CHEMBL_ID | CHEMBL1964772 |
NSC_ID | NSC648480 |
PDB_CODE | |
Molecular Weight (g/mol) | 340.36 |
XLogP3-AA | 4.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 518 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7410638 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2682 |
CID | 5943562 |
CHEMBL_ID | CHEMBL3250473 |
NSC_ID | NSC227295 |
PDB_CODE | |
Molecular Weight (g/mol) | 327.39 |
XLogP3-AA | 0 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 7 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7173975 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2683 |
CID | 5967551 |
CHEMBL_ID | |
NSC_ID | NSC401776 |
PDB_CODE | |
Molecular Weight (g/mol) | 372.38 |
XLogP3-AA | 5.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 6 |
Complexity | 549 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7217161 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2684 |
CID | 5986802 |
CHEMBL_ID | |
NSC_ID | NSC211369 |
PDB_CODE | |
Molecular Weight (g/mol) | 341.32 |
XLogP3-AA | 1.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 525 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.747474 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2685 |
CID | 60147595 |
CHEMBL_ID | |
NSC_ID | NSC751749 |
PDB_CODE | |
Molecular Weight (g/mol) | 357.37 |
XLogP3-AA | 3.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 126 |
Heavy Atom Count | 27 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7340866 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2686 |
CID | 6041104 |
CHEMBL_ID | |
NSC_ID | NSC174496 |
PDB_CODE | |
Molecular Weight (g/mol) | 360.32 |
XLogP3-AA | 4.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 135 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7160077 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2687 |
CID | 6044145 |
CHEMBL_ID | CHEMBL3250472 |
NSC_ID | NSC205360 |
PDB_CODE | |
Molecular Weight (g/mol) | 341.42 |
XLogP3-AA | 1 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 9 |
Complexity | 517 |
Topological Polar Surface Area (A^2) | 133 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7209684 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2688 |
CID | 6046001 |
CHEMBL_ID | |
NSC_ID | NSC273358 |
PDB_CODE | |
Molecular Weight (g/mol) | 357.42 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 7 |
Complexity | 538 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7120811 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2689 |
CID | 6101988 |
CHEMBL_ID | CHEMBL1989622 |
NSC_ID | NSC648481 |
PDB_CODE | |
Molecular Weight (g/mol) | 354.39 |
XLogP3-AA | 4.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7365414 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2690 |
CID | 6109655 |
CHEMBL_ID | CHEMBL1977363 |
NSC_ID | NSC640562 |
PDB_CODE | |
Molecular Weight (g/mol) | 358.41 |
XLogP3-AA | 2.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7316813 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2691 |
CID | 6161721 |
CHEMBL_ID | |
NSC_ID | NSC401775 |
PDB_CODE | |
Molecular Weight (g/mol) | 358.35 |
XLogP3-AA | 5.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 534 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7364849 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2692 |
CID | 6179266 |
CHEMBL_ID | |
NSC_ID | NSC299180 |
PDB_CODE | |
Molecular Weight (g/mol) | 330.29 |
XLogP3-AA | -0.6 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 523 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7097347 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2693 |
CID | 6185269 |
CHEMBL_ID | |
NSC_ID | NSC90949 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.39 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 510 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7131315 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2694 |
CID | 6283355 |
CHEMBL_ID | |
NSC_ID | NSC22635 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.33 |
XLogP3-AA | 2.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 518 |
Topological Polar Surface Area (A^2) | 122 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7165524 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2695 |
CID | 6304386 |
CHEMBL_ID | |
NSC_ID | NSC240903 |
PDB_CODE | |
Molecular Weight (g/mol) | 378.34 |
XLogP3-AA | 5.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 552 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 28 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7092728 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2696 |
CID | 6400237 |
CHEMBL_ID | CHEMBL1985875 |
NSC_ID | NSC645529 |
PDB_CODE | |
Molecular Weight (g/mol) | 334.34 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 526 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7190495 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2697 |
CID | 6477364 |
CHEMBL_ID | CHEMBL2003236 |
NSC_ID | NSC648482 |
PDB_CODE | |
Molecular Weight (g/mol) | 368.42 |
XLogP3-AA | 5.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 6 |
Complexity | 547 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7202345 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2698 |
CID | 6508559 |
CHEMBL_ID | CHEMBL2086881 |
NSC_ID | NSC90952 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.39 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 518 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 22 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 3460 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7245015 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2699 |
CID | 6508680 |
CHEMBL_ID | |
NSC_ID | NSC116850 |
PDB_CODE | |
Molecular Weight (g/mol) | 343.29 |
XLogP3-AA | 4.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 533 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7381378 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2700 |
CID | 6512501 |
CHEMBL_ID | |
NSC_ID | NSC349105 |
PDB_CODE | |
Molecular Weight (g/mol) | 333.34 |
XLogP3-AA | 0.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Complexity | 514 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7362483 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2701 |
CID | 9398 |
CHEMBL_ID | CHEMBL297905 |
NSC_ID | NSC14153 |
PDB_CODE | |
Molecular Weight (g/mol) | 344.24 |
XLogP3-AA | 2.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Complexity | 526 |
Topological Polar Surface Area (A^2) | 134 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | 7000 |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7371344 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2702 |
CID | 9555073 |
CHEMBL_ID | |
NSC_ID | NSC230262 |
PDB_CODE | |
Molecular Weight (g/mol) | 320.30 |
XLogP3-AA | 3.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Complexity | 510 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7021357 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2703 |
CID | 9555411 |
CHEMBL_ID | |
NSC_ID | NSC320657 |
PDB_CODE | |
Molecular Weight (g/mol) | 376.75 |
XLogP3-AA | 5.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 6 |
Complexity | 548 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7043233 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2704 |
CID | 9555601 |
CHEMBL_ID | |
NSC_ID | NSC370588 |
PDB_CODE | |
Molecular Weight (g/mol) | 337.29 |
XLogP3-AA | 2.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 3 |
Complexity | 528 |
Topological Polar Surface Area (A^2) | 127 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7349836 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2705 |
CID | 9555728 |
CHEMBL_ID | |
NSC_ID | NSC601085 |
PDB_CODE | |
Molecular Weight (g/mol) | 375.39 |
XLogP3-AA | 1.7 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 6 |
Complexity | 556 |
Topological Polar Surface Area (A^2) | 129 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7040429 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2706 |
CID | 9556300 |
CHEMBL_ID | |
NSC_ID | NSC128959 |
PDB_CODE | |
Molecular Weight (g/mol) | 348.43 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Complexity | 522 |
Topological Polar Surface Area (A^2) | 137 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7116797 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2707 |
CID | 9556472 |
CHEMBL_ID | |
NSC_ID | NSC356129 |
PDB_CODE | |
Molecular Weight (g/mol) | 364.42 |
XLogP3-AA | 3.4 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Complexity | 546 |
Topological Polar Surface Area (A^2) | 119 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7038236 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2708 |
CID | 9560938 |
CHEMBL_ID | |
NSC_ID | NSC332416 |
PDB_CODE | |
Molecular Weight (g/mol) | 348.42 |
XLogP3-AA | 4.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Complexity | 521 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7391818 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2709 |
CID | 9561071 |
CHEMBL_ID | |
NSC_ID | NSC13660 |
PDB_CODE | |
Molecular Weight (g/mol) | 349.36 |
XLogP3-AA | 2.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 6 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 122 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7205796 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2710 |
CID | 9561605 |
CHEMBL_ID | |
NSC_ID | NSC65021 |
PDB_CODE | |
Molecular Weight (g/mol) | 360.43 |
XLogP3-AA | 3.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Complexity | 546 |
Topological Polar Surface Area (A^2) | 128 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7279722 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2711 |
CID | 9568301 |
CHEMBL_ID | |
NSC_ID | NSC87396 |
PDB_CODE | |
Molecular Weight (g/mol) | 342.31 |
XLogP3-AA | 5.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 5 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 125 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.74262 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2712 |
CID | 9569314 |
CHEMBL_ID | |
NSC_ID | NSC306709 |
PDB_CODE | |
Molecular Weight (g/mol) | 341.32 |
XLogP3-AA | 2.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 8 |
Complexity | 520 |
Topological Polar Surface Area (A^2) | 124 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7298913 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2713 |
CID | 9570040 |
CHEMBL_ID | CHEMBL1993742 |
NSC_ID | NSC635336 |
PDB_CODE | |
Molecular Weight (g/mol) | 347.76 |
XLogP3-AA | 2.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 6 |
Complexity | 527 |
Topological Polar Surface Area (A^2) | 131 |
Heavy Atom Count | 24 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7430168 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2714 |
CID | 9572324 |
CHEMBL_ID | |
NSC_ID | NSC711822 |
PDB_CODE | |
Molecular Weight (g/mol) | 368.41 |
XLogP3-AA | 4.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 543 |
Topological Polar Surface Area (A^2) | 119 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7007162 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2715 |
CID | 9572749 |
CHEMBL_ID | |
NSC_ID | NSC725239 |
PDB_CODE | |
Molecular Weight (g/mol) | 345.76 |
XLogP3-AA | 3.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Complexity | 513 |
Topological Polar Surface Area (A^2) | 136 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7004057 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2716 |
CID | 9699863 |
CHEMBL_ID | |
NSC_ID | NSC74695 |
PDB_CODE | |
Molecular Weight (g/mol) | 360.32 |
XLogP3-AA | 4.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Complexity | 532 |
Topological Polar Surface Area (A^2) | 135 |
Heavy Atom Count | 26 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7160077 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2717 |
CID | 97308 |
CHEMBL_ID | |
NSC_ID | NSC114896 |
PDB_CODE | |
Molecular Weight (g/mol) | 352.29 |
XLogP3-AA | 0.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 10 |
Complexity | 528 |
Topological Polar Surface Area (A^2) | 122 |
Heavy Atom Count | 25 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.7075876 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2718 |
CID | 5334 |
CHEMBL_ID | CHEMBL493636 |
NSC_ID | NSC77120 |
PDB_CODE | |
Molecular Weight (g/mol) | 335.33 |
XLogP3-AA | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Complexity | 524 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | Yes (useful for the treatment of cancer) |
Off Targets | ABCC2, AHR, ALDH1A1, ALOX12, AR |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | 26962873 |
Protein-Protein Interaction Modulator SVM score | 1.7393682 |
Predicted Log 10(IC50) values | NA |
2D Structure | |
|
DB_ACCESS_NUMBER | PPIM2719 |
CID | 300544 |
CHEMBL_ID | |
NSC_ID | NSC175391 |
PDB_CODE | |
Molecular Weight (g/mol) | 332.33 |
XLogP3-AA | 1.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Complexity | 504 |
Topological Polar Surface Area (A^2) | 130 |
Heavy Atom Count | 23 |
Defined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Experimentally verified IC50 values (nM) | |
Target Protein-protein Interaction complex | c-Myc/Max |
Clinical Application | No |
Off Targets | |
Protein-Protein Interaction Type | Orthosteric |
Protein-Protein Interaction Modulator Type | Predicted |
PUBMED_ID | |
Protein-Protein Interaction Modulator SVM score | 1.712008 |
Predicted Log 10(IC50) values | NA |
2D Structure | |