| General Property |
| Molceule ID (DB) | EGIN0004581 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 1e |
| IUPAC Name | N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-9H-purin-6-yl)oxy]phenyl}prop-2-enamide |
| Formula | C25H26N8O2 |
| Mass | 470.5263 |
| Exact Mass | 470.2178721 |
| Composition | C (63.82%), H (5.57%), N (23.81%), O (6.8%) |
| Atom Count | 61 |
| PI | 8.44 |
| Smiles | c1c(ccc(c1)Nc1nc(c2nc[nH]c2n1)Oc1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C25H26N8O2/c1-3-21(34)28-18-5-4-6-20(15-18)35-24-22-23(27-16-26-22)30-25(31-24)29-17-7-9-19(10-8-
17)33-13-11-32(2)12-14-33/h3-10,15-16H,1,11-14H2,2H3,(H,28,34)(H2,26,27,29,30,31) |
| InChIKey | GIFCIAYQABTKPW-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 | 21208802 |
| 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 |
49818805
|
| Drug Bank Link | - |
| ChemSpider Link | 26378827 |
| ChEMBL Link | CHEMBL1643963 |
