| General Property |
| Molceule ID (DB) | EGIN0004197 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 1 (AEB071) |
| IUPAC Name | 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2,5-dihydro-1H-pyrrole-2,5-dione |
| Formula | C25H22N6O2 |
| Mass | 438.4812 |
| Exact Mass | 438.180424 |
| Composition | C (68.48%), H (5.06%), N (19.17%), O (7.3%) |
| Atom Count | 55 |
| PI | 8.53 |
| Smiles | [nH]1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c2c(cccc2)nc(n1)N1CCN(CC1)C |
| InChI | 1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-
26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33) |
| InChIKey | OAVGBZOFDPFGPJ-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 | 19827831 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Akt1/PKB alpha | Alk | Btk | EphB4 | Hck | IGF1R | InsR | JAK2 | JNK1-3 | Kit | Lck | Met | p38a-MAP | PAK2 | PI3 kinase | Ret | ROCK-I/II | Syk | Zap70 | JAK3 | CDK2/cyclinA | Abl | PKA | KDR | Flt4 | Fyn | PDK1 | JAK1 | FAK | GSK-3 beta | Axl | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 8472351 |
| ChEMBL Link | CHEMBL565612 |
