| General Property |
| Molceule ID (DB) | EGIN0004281 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 52 compound |
| IUPAC Name | 8-[(1-benzoylpiperidin-4-yl)amino]-1-methyl-1H,4H,5H-pyrazolo[4,3-h]quinazoline-3-carboxamide |
| Formula | C23H25N7O2 |
| Mass | 431.4903 |
| Exact Mass | 431.2069731 |
| Composition | C (64.02%), H (5.84%), N (22.72%), O (7.42%) |
| Atom Count | 57 |
| PI | 8.54 |
| Smiles | n1c(nc2c(c1)CCc1c2n(nc1C(=O)N)C)N[C@@H]1CCN(CC1)C(=O)c1ccccc1 |
| InChI | 1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32
)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27) |
| InChIKey | DIASEXMEBNQQHZ-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 | 20141146 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ACK1 | AKT1 | ALK | AurA | AurB | BRK | BUB1 | c-Abl | CDC7/DBF4 | CDK1/CyB | CDK2/CyA | CDK2/CyE | CDK4/CyD1 | CDK5/p25 | CHK1 | CK2 | C-KIT | EEF2K | ERK2 | FAK | FGFR1 | FLT3 | GSK-3 beta | IGF1R | IKK1 | IKK2 | IR | JAK1 | JAK3 | LCK | LYN | MAPKAPK2 | MET | MNK2 | MST4 | NEK6 | NIM | PAK4 | PDGFR | PDK1 | PERK | PIM1 | PIM2 | PKAR | PKC beta | PLK1 | RET | SULU1 | SYK | TRKA | TYK | VEGFR2 | VEGFR3 | ZAP70 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24650168 |
| ChEMBL Link | CHEMBL599428 |
