| General Property |
| Molceule ID (DB) | EGIN0004282 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 59 compound |
| IUPAC Name | 8-({1-[(1-methanesulfonylpiperidin-4-yl)carbonyl]piperidin-4-yl}amino)-N,1-dimethyl-1H,4H,5H-pyrazolo[4,3-h]quinazoline-3-carboxamide |
| Formula | C24H34N8O4S |
| Mass | 530.643 |
| Exact Mass | 530.2423723 |
| Composition | C (54.32%), H (6.46%), N (21.12%), O (12.06%), S (6.04%) |
| Atom Count | 71 |
| PI | 8.72 |
| Smiles | n1c(nc2c(c1)CCc1c2n(nc1C(=O)NC)C)NC1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)C |
| InChI | 1S/C24H34N8O4S/c1-25-22(33)20-18-5-4-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-8-10-31(11-9-17)23(
34)15-6-12-32(13-7-15)37(3,35)36/h14-15,17H,4-13H2,1-3H3,(H,25,33)(H,26,27,28) |
| InChIKey | KOLSEKSFVMGHDV-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 | 24649989 |
| ChEMBL Link | CHEMBL597754 |
