| General Property |
| Molceule ID (DB) | EGIN0002096 |
| Inhibitor Class | Amino-thiazole |
| Molecule Name in Refrence Article | DASATINIB |
| IUPAC Name | N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide |
| Formula | C22H26ClN7O2S |
| Mass | 488.006 |
| Exact Mass | 487.1557215 |
| Composition | C (54.15%), H (5.37%), Cl (7.26%), N (20.09%), O (6.56%), S (6.57%) |
| Atom Count | 59 |
| PI | 7.83 |
| Smiles | c1c(C(=O)Nc2c(cccc2Cl)C)sc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)n1 |
| InChI | 1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6
-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) |
| InChIKey | ZBNZXTGUTAYRHI-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 | 15615512 | 17154512 | 18849971 | 19321350 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
3062316
|
| Drug Bank Link | - |
| ChemSpider Link | 2323020 |
| ChEMBL Link | CHEMBL1421 |
