| General Property |
| Molceule ID (DB) | EGIN0003432 |
| Inhibitor Class | Pyrrolo-pyrazole |
| Molecule Name in Refrence Article | DANUSERTIB |
| IUPAC Name | N-{5-[(2R)-2-methoxy-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide |
| Formula | C26H30N6O3 |
| Mass | 474.5548 |
| Exact Mass | 474.2379389 |
| Composition | C (65.8%), H (6.37%), N (17.71%), O (10.11%) |
| Atom Count | 65 |
| PI | 8.74 |
| Smiles | c1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2)C(=O)[C@H](OC)c1ccccc1)N1CCN(CC1)C |
| InChI | 1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(3
4)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 |
| InChIKey | XKFTZKGMDDZMJI-HSZRJFAPSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 17125279 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT1 | CDC7/Dbf4 | CHK1 | CK2 | ERK2 | GSK-3 beta | IKK2 | IKKi | IR | LYN | MET | NIM1 | p38R | PAK4 | PDK1 | PKAR | PKC beta | SULU | ZAP70 | Aurora A | LCK | VEGFR3 | ABL | TRKA | RET | PLK1 | C-KIT | VEGFR2 | CDK2/cyA | FGFR1 | Aurora C | STLK2 | FLT3 | Aurora B | ALL |
| Pub Chem Link |
11442891
|
| Drug Bank Link | - |
| ChemSpider Link | 9617754 |
| ChEMBL Link | CHEMBL402548 |
