General Property |
Molceule ID (DB) | EGIN0004209 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 3h compound |
IUPAC Name | 2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)propane-1,3-diol |
Formula | C16H16BrN5O2 |
Mass | 390.235 |
Exact Mass | 389.0487374 |
Composition | C (49.24%), H (4.13%), Br (20.48%), N (17.95%), O (8.2%) |
Atom Count | 40 |
PI | 9.79 |
Smiles | n1cnc(c2c1cc(nc2)NC(CO)CO)Nc1cc(ccc1)Br |
InChI | 1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-6-18-15(21-12(7-23)8-24)5-14(13)19-9-20-16/h1-6,9,12,2
3-24H,7-8H2,(H,18,21)(H,19,20,22) |
InChIKey | ANVYMDPUMZNGLO-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004209.png) | Structure Backbone | ![](./frame/f_EGIN0004209.png) |
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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 | 4485467 |
ChEMBL Link | CHEMBL125568 |