| General Property |
| Molceule ID (DB) | EGIN0004232 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3ee compound |
| IUPAC Name | 2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)ethane-1-sulfonic acid |
| Formula | C15H14BrN5O3S |
| Mass | 424.272 |
| Exact Mass | 423.0000727 |
| Composition | C (42.46%), H (3.33%), Br (18.83%), N (16.51%), O (11.31%), S (7.56%) |
| Atom Count | 39 |
| PI | 4.52 |
| Smiles | n1cnc(c2c1cc(nc2)NCCS(=O)(=O)O)Nc1cc(ccc1)Br |
| InChI | 1S/C15H14BrN5O3S/c16-10-2-1-3-11(6-10)21-15-12-8-18-14(7-13(12)19-9-20-15)17-4-5-25(22,23)24/h1-3,6-
9H,4-5H2,(H,17,18)(H,19,20,21)(H,22,23,24) |
| InChIKey | KFKHOLUDECOBTE-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 | 4485490 |
| ChEMBL Link | CHEMBL128467 |
