| General Property |
| Molceule ID (DB) | EGIN0000005 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | GEFITINIB |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine |
| Formula | C22H24ClFN4O3 |
| Mass | 446.902 |
| Exact Mass | 446.1520966 |
| Composition | C (59.13%), H (5.41%), Cl (7.93%), F (4.25%), N (12.54%), O (10.74%) |
| Atom Count | 55 |
| PI | 11.48 |
| Smiles | COc1c(cc2c(c1)ncnc2Nc1cc(c(cc1)F)Cl)OCCCN1CCOCC1 |
| InChI | 1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(2
4)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) |
| InChIKey | XGALLCVXEZPNRQ-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 | 11459659 | 12270171 | 12384534 | 15374980 | 16279804 | 16475937 | 16713265 | 16806916 | 17416531 | 17575237 | 17869510 | 17889528 | 18313807 | 18702009 | 18771819 | 18849971 | 19170633 | 19268405 | 19665377 | 19969465 | 20056425 | 20151670 | 20166671 | 20304535 | 20550212 | 20961149 | 21732342 | 0 | 15711537 | 17349580 | 18227510 | 20033049 | 20530710 | 21138763 | 21208802 | 21306821 | 22101132 | 22309911 | 22339342 | 22818848 | 22888144 | 22901387 | 16516473 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR-2 | VEGFR-2 | KDR | Flt-1 | Raf | MEK-1 | ERK-2 (MAPK) | ß-InsRK | HGFR | c-SRC | VEGFR-2 | ALL |
| Pub Chem Link |
123631
|
| Drug Bank Link | - |
| ChemSpider Link | 110217 |
| ChEMBL Link | CHEMBL939 |
