| General Property |
| Molceule ID (DB) | EGIN0004229 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3bb compound |
| IUPAC Name | 3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)propanoic acid |
| Formula | C16H14BrN5O2 |
| Mass | 388.219 |
| Exact Mass | 387.0330874 |
| Composition | C (49.5%), H (3.63%), Br (20.58%), N (18.04%), O (8.24%) |
| Atom Count | 38 |
| PI | 4.6 |
| Smiles | n1cnc(c2c1cc(nc2)NCCC(=O)O)Nc1cc(ccc1)Br |
| InChI | 1S/C16H14BrN5O2/c17-10-2-1-3-11(6-10)22-16-12-8-19-14(18-5-4-15(23)24)7-13(12)20-9-21-16/h1-3,6-9H,4
-5H2,(H,18,19)(H,23,24)(H,20,21,22) |
| InChIKey | SRQBKAXEENMWFO-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 | 4485487 |
| ChEMBL Link | CHEMBL127086 |
