| General Property |
| Molceule ID (DB) | EGIN0000807 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | NERATINIB |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C30H29ClN6O3 |
| Mass | 557.043 |
| Exact Mass | 556.1989665 |
| Composition | C (64.68%), H (5.25%), Cl (6.36%), N (15.09%), O (8.62%) |
| Atom Count | 69 |
| PI | 10.67 |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)OCc1ccccn1)Cl)OCC)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11
-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ |
| InChIKey | JWNPDZNEKVCWMY-VQHVLOKHSA-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 | 15173008 | 15715478 | 17416531 | 20033049 | 22227214 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Akt | c-Met | c-Raf/MEK1 | Cyclin D1/CDK4 | Cyclin E/CDK2 | CyclinB1/CDK1 | IKK-2 | KDR | MK2 | PDK1 | src | Tpl2 | ALL |
| Pub Chem Link |
9915743
|
| Drug Bank Link | - |
| ChemSpider Link | 8091392 |
| ChEMBL Link | CHEMBL180022 |
