General Property |
Molceule ID (DB) | EGIN0004207 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 3f compound |
IUPAC Name | (2S)-3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)propane-1,2-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 | 9.54 |
Smiles | n1cnc(c2c1cc(nc2)NC[C@H](O)CO)Nc1cc(ccc1)Br |
InChI | 1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-7-19-15(18-6-12(24)8-23)5-14(13)20-9-21-16/h1-5,7,9,12
,23-24H,6,8H2,(H,18,19)(H,20,21,22)/t12-/m0/s1 |
InChIKey | JLXPNVOGDZTOJF-LBPRGKRZSA-N |
2D Structure | | Structure Backbone | |
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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 | 4485465 21201184 21201056 |
ChEMBL Link | CHEMBL126372 |