| General Property |
| Molceule ID (DB) | EGIN0004280 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 50 compound |
| IUPAC Name | 8-[(1-acetylpiperidin-4-yl)amino]-1-methyl-1H,4H,5H-pyrazolo[4,3-h]quinazoline-3-carboxamide |
| Formula | C18H23N7O2 |
| Mass | 369.4209 |
| Exact Mass | 369.191323 |
| Composition | C (58.52%), H (6.28%), N (26.54%), O (8.66%) |
| Atom Count | 50 |
| PI | 8.54 |
| Smiles | n1c(nc2c(c1)CCc1c2n(nc1C(=O)N)C)NC1CCN(CC1)C(=O)C |
| InChI | 1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h
9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22) |
| InChIKey | CQWBHMMWZICZRH-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 | CDK5/p25 | CHK1 | CK2 | C-KIT | EEF2K | ERK2 | FAK | FGFR1 | FLT3 | 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 | 24650264 |
| ChEMBL Link | CHEMBL599224 |
