| General Property |
| Molceule ID (DB) | EGIN0004230 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3cc compound |
| IUPAC Name | 4-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)butanoic acid |
| Formula | C17H16BrN5O2 |
| Mass | 402.245 |
| Exact Mass | 401.0487374 |
| Composition | C (50.76%), H (4.01%), Br (19.86%), N (17.41%), O (7.96%) |
| Atom Count | 41 |
| PI | 4.63 |
| Smiles | n1cnc(c2c1cc(nc2)NCCCC(=O)O)Nc1cc(ccc1)Br |
| InChI | 1S/C17H16BrN5O2/c18-11-3-1-4-12(7-11)23-17-13-9-20-15(8-14(13)21-10-22-17)19-6-2-5-16(24)25/h1,3-4,7
-10H,2,5-6H2,(H,19,20)(H,24,25)(H,21,22,23) |
| InChIKey | AORLUMDMFWSHLT-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 | 4485488 |
| ChEMBL Link | CHEMBL128468 |
