| General Property |
| Molceule ID (DB) | EGIN0004206 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3e compound |
| IUPAC Name | 2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(methyl)amino)ethan-1-ol |
| Formula | C16H16BrN5O |
| Mass | 374.235 |
| Exact Mass | 373.0538228 |
| Composition | C (51.35%), H (4.31%), Br (21.35%), N (18.71%), O (4.28%) |
| Atom Count | 39 |
| PI | 9.99 |
| Smiles | n1cnc(c2c1cc(nc2)N(CCO)C)Nc1cc(ccc1)Br |
| InChI | 1S/C16H16BrN5O/c1-22(5-6-23)15-8-14-13(9-18-15)16(20-10-19-14)21-12-4-2-3-11(17)7-12/h2-4,7-10,23H,5
-6H2,1H3,(H,19,20,21) |
| InChIKey | FXWAFRDJXXFRPI-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 | 9397172 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 4485464 |
| ChEMBL Link | CHEMBL341319 |
