| General Property |
| Molceule ID (DB) | EGIN0000923 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 34 compound |
| IUPAC Name | 2-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidine-6-sulfonyl}ethan-1-ol |
| Formula | C15H13BrN4O3S |
| Mass | 409.258 |
| Exact Mass | 407.9891736 |
| Composition | C (44.02%), H (3.2%), Br (19.52%), N (13.69%), O (11.73%), S (7.83%) |
| Atom Count | 37 |
| PI | 8.32 |
| Smiles | S(=O)(=O)(CCO)c1cc2c(ncnc2cn1)Nc1cccc(c1)Br |
| InChI | 1S/C15H13BrN4O3S/c16-10-2-1-3-11(6-10)20-15-12-7-14(24(22,23)5-4-21)17-8-13(12)18-9-19-15/h1-3,6-9,2
1H,4-5H2,(H,18,19,20) |
| InChIKey | XMBAKOAIBDXONF-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 | 11462982 |
| 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 |
5329095
|
| Drug Bank Link | - |
| ChemSpider Link | 4486257 |
| ChEMBL Link | CHEMBL335440 |
