General Property |
Molceule ID (DB) | EGIN0003458 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 4c compound |
IUPAC Name | 2-methylpropyl N-(4-{7-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl}phenyl)carbamate |
Formula | C28H33N7O2 |
Mass | 499.6073 |
Exact Mass | 499.2695733 |
Composition | C (67.31%), H (6.66%), N (19.62%), O (6.4%) |
Atom Count | 70 |
PI | 10.41 |
Smiles | c1(ccc(cc1)N1CCN(CC1)C)c1c2ncc(c3ccc(cc3)NC(=O)OCC(C)C)c(n2nc1)N |
InChI | 1S/C28H33N7O2/c1-19(2)18-37-28(36)32-22-8-4-20(5-9-22)24-16-30-27-25(17-31-35(27)26(24)29)21-6-10-23
(11-7-21)34-14-12-33(3)13-15-34/h4-11,16-17,19H,12-15,18,29H2,1-3H3,(H,32,36) |
InChIKey | DAZCBQNFGSWSQG-UHFFFAOYSA-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 | 20483608 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Alk | Cdk2A | c-Met | FGFR3K | IGF1R | Ins1R | Jak1 | Jak2 | Jak3 | PDK1 | PKA | PKB alpha | Syk | Zap70 | TIE2 | Lck | c-AblT315 | c-Abl | KDR | Ret | c-Src | PDGFRa | c-Kit | Hck | ALL |
Pub Chem Link |
24762205
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Drug Bank Link | - |
ChemSpider Link | 24662080 |
ChEMBL Link | CHEMBL1085511 |