| General Property |
| Molceule ID (DB) | EGIN0004209 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3h compound |
| IUPAC Name | 2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)propane-1,3-diol |
| Formula | C16H16BrN5O2 |
| Mass | 390.235 |
| Exact Mass | 389.0487374 |
| Composition | C (49.24%), H (4.13%), Br (20.48%), N (17.95%), O (8.2%) |
| Atom Count | 40 |
| PI | 9.79 |
| Smiles | n1cnc(c2c1cc(nc2)NC(CO)CO)Nc1cc(ccc1)Br |
| InChI | 1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-6-18-15(21-12(7-23)8-24)5-14(13)19-9-20-16/h1-6,9,12,2
3-24H,7-8H2,(H,18,21)(H,19,20,22) |
| InChIKey | ANVYMDPUMZNGLO-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 | 4485467 |
| ChEMBL Link | CHEMBL125568 |
