General Property |
Molceule ID (DB) | EGIN0000636 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | GW9263 |
IUPAC Name | 2-[(4-{[4-(benzylamino)-3-carboximidoylphenyl]amino}pyrido[3,4-d]pyrimidin-6-yl)(methyl)amino]ethan-1-ol |
Formula | C24H25N7O |
Mass | 427.5016 |
Exact Mass | 427.2120585 |
Composition | C (67.43%), H (5.89%), N (22.93%), O (3.74%) |
Atom Count | 57 |
PI | 11.89 |
Smiles | c12c(cnc(c1)N(C)CCO)ncnc2Nc1ccc(c(c1)C=N)NCc1ccccc1 |
InChI | 1S/C24H25N7O/c1-31(9-10-32)23-12-20-22(15-27-23)28-16-29-24(20)30-19-7-8-21(18(11-19)13-25)26-14-17-
5-3-2-4-6-17/h2-8,11-13,15-16,25-26,32H,9-10,14H2,1H3,(H,28,29,30)/b25-13+ |
InChIKey | UAHVNJNARPJFOA-DHRITJCHSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 11585755 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |