| General Property |
| Molceule ID (DB) | EGIN0004345 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 49 compound |
| IUPAC Name | 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-1H,4H,5H-pyrazolo[4,3-h]quinazoline-3-carboxamide |
| Formula | C23H28N8O2 |
| Mass | 448.5208 |
| Exact Mass | 448.2335222 |
| Composition | C (61.59%), H (6.29%), N (24.98%), O (7.13%) |
| Atom Count | 61 |
| PI | 10.07 |
| Smiles | n1c(nc2c(c1)CCc1c2n(nc1C(=O)N)C)Nc1cc(ccc1OC)N1CCN(CC1)C |
| InChI | 1S/C23H28N8O2/c1-29-8-10-31(11-9-29)15-5-7-18(33-3)17(12-15)26-23-25-13-14-4-6-16-20(22(24)32)28-30(
2)21(16)19(14)27-23/h5,7,12-13H,4,6,8-11H2,1-3H3,(H2,24,32)(H,25,26,27) |
| InChIKey | SWTRIZHCIUWGAU-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 | 20397705 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT1 | ALK | AurA | AurB | c-Abl | CDC7 | CDK4/D1 | CDK7 | CHK1 | ERK2 | FGFR1 | GSK-3 beta | IGFR1 | IKK2 | IR | LCK | MAPKAPK2 | MET | NEK6 | NIM | P38a | PAK4 | PDK1 | PKA alpha | PKC beta | RET | STLK2 | SULU1 | TRKA | VEGFR2 | CK2 | CDK1/B | KIT | CDK5/p25 | Plk2 | CDK2/E | CDK2/A | Plk3 | VEGFR3 | Plk1 | PDGFR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24678129 |
| ChEMBL Link | CHEMBL1094408 |
