| General Property |
| Molceule ID (DB) | EGIN0000001 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | AFATINIB |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C24H25ClFN5O3 |
| Mass | 485.938 |
| Exact Mass | 485.1629956 |
| Composition | C (59.32%), H (5.19%), Cl (7.3%), F (3.91%), N (14.41%), O (9.88%) |
| Atom Count | 59 |
| PI | 10.64 |
| Smiles | CN(C)C/C=C/C(=O)Nc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)O[C@H]1CCOC1 |
| InChI | 1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15
-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 |
| InChIKey | ULXXDDBFHOBEHA-CWDCEQMOSA-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 | 18408761 | 16475937 | 20530710 | 21732342 | 22888144 | 20550212 | 21306821 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | beta-InsRK | c-Src | HGFR | VEGFR2 | ß-InsRK | HGFR | c-SRC | VEGFR-2 | ß-InsRK | HGFR | c-SRC | VEGFR-2 | ALL |
| Pub Chem Link |
10184653
|
| Drug Bank Link | - |
| ChemSpider Link | 8360155 |
| ChEMBL Link | CHEMBL1173655 |
