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 | ![](./image/EGIN0000001.png) | Structure Backbone | ![](./frame/f_EGIN0000001.png) |
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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
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Drug Bank Link | - |
ChemSpider Link | 8360155 |
ChEMBL Link | CHEMBL1173655 |