| General Property |
| Molceule ID (DB) | EGIN0003454 |
| Inhibitor Class | Pyrrolo-pyrazole |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | N-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide |
| Formula | C19H31N5O2 |
| Mass | 361.4817 |
| Exact Mass | 361.2477753 |
| Composition | C (63.13%), H (8.64%), N (19.37%), O (8.85%) |
| Atom Count | 57 |
| PI | 10.12 |
| Smiles | O=C(C1CCN(C)CC1)N1Cc2c(C1(C)C)[nH]nc2NC(=O)CC(C)C |
| InChI | 1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H
,6-11H2,1-5H3,(H2,20,21,22,25) |
| InChIKey | HUXYBQXJVXOMKX-UHFFFAOYSA-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 | 20153204 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT1 | ALK | AurA | AurB | c-Abl | CDC7 | CHK1 | CK2 | c-Kit | FGFR1 | FLT3 | IGF1R | IKK2 | IR | JAK2 | LCK | MAPKAPK2 | MET | NEK6 | NIM | P38a | PAK4 | PDGFR | PDK1 | PKA alpha | PKC alpha | PLK1 | PLK2 | RET | STLK2 | SULU1 | TRKA | VEGFR2 | VEGFR3 | CDK7/cyclinH | CDK9/cyclinT1 | CDK5/p25 | CDK1/cyclinB | CDK4/cyclinD1 | GSK-3b | CDK2/cyclinA | CDK2/cyclinE | ALL |
| Pub Chem Link |
46191454
|
| Drug Bank Link | - |
| ChemSpider Link | 24747380 |
| ChEMBL Link | CHEMBL1230607 |
