| General Property |
| Molceule ID (DB) | EGIN0004208 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3g compound |
| IUPAC Name | (2S)-3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(methyl)amino)propane-1,2-diol |
| Formula | C17H18BrN5O2 |
| Mass | 404.261 |
| Exact Mass | 403.0643875 |
| Composition | C (50.51%), H (4.49%), Br (19.77%), N (17.32%), O (7.92%) |
| Atom Count | 43 |
| PI | 9.5 |
| Smiles | n1cnc(c2c1cc(nc2)N(C[C@H](O)CO)C)Nc1cc(ccc1)Br |
| InChI | 1S/C17H18BrN5O2/c1-23(8-13(25)9-24)16-6-15-14(7-19-16)17(21-10-20-15)22-12-4-2-3-11(18)5-12/h2-7,10,
13,24-25H,8-9H2,1H3,(H,20,21,22)/t13-/m0/s1 |
| InChIKey | VHMBNNHFFIJPIQ-ZDUSSCGKSA-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 | 4485466 21201187 21201091 |
| ChEMBL Link | CHEMBL340700 |
