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 | ![](./image/EGIN0003454.png) | Structure Backbone | ![](./frame/f_EGIN0003454.png) |
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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 | 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 |