| General Property |
| Molceule ID (DB) | EGIN0000003 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | LAPATINIB |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C29H26ClFN4O4S |
| Mass | 581.058 |
| Exact Mass | 580.1347319 |
| Composition | C (59.94%), H (4.51%), Cl (6.1%), F (3.27%), N (9.64%), O (11.01%), S (5.52%) |
| Atom Count | 66 |
| PI | 11.58 |
| Smiles | CS(=O)(=O)CCNCc1ccc(o1)c1cc2c(cc1)ncnc2Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6
-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) |
| InChIKey | BCFGMOOMADDAQU-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 | 15374980 | 16475937 | 16483772 | 16777410 | 18287036 | 19170633 | 19815412 | 19888761 | 20143778 | 20166671 | 20346655 | 20580136 | 20817523 | 21080629 | 21334203 | 21306821 | 21732342 | 22101132 | 22169601 | 22227214 | 22372864 | 22595177 | 22888144 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | ß-InsRK | HGFR | c-SRC | VEGFR-2 | HN5 | BT474 | N87 | pIGF-1R | pIGF1R | HDAC | rHDAC1 | rHDAC3 | rHDAC6 | rHDAC8 | H3K | PDGF-Rß | InsR | Abl1 | CDK2 | PKA | PlK1 | BT474 | BT474 | N87 | VEGFR2 | ALL |
| Pub Chem Link |
208908
|
| Drug Bank Link | DB01259 |
| ChemSpider Link | 181006 |
| ChEMBL Link | CHEMBL554 |
