General Property |
Molceule ID (DB) | EGIN0004223 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 3v compound |
IUPAC Name | 2-{[2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)ethyl](2-hydroxyethyl)amino}ethan-1-ol |
Formula | C19H23BrN6O2 |
Mass | 447.329 |
Exact Mass | 446.1065867 |
Composition | C (51.01%), H (5.18%), Br (17.86%), N (18.79%), O (7.15%) |
Atom Count | 51 |
PI | 11.49 |
Smiles | n1cnc(c2c1cc(nc2)NCCN(CCO)CCO)Nc1cc(ccc1)Br |
InChI | 1S/C19H23BrN6O2/c20-14-2-1-3-15(10-14)25-19-16-12-22-18(11-17(16)23-13-24-19)21-4-5-26(6-8-27)7-9-28
/h1-3,10-13,27-28H,4-9H2,(H,21,22)(H,23,24,25) |
InChIKey | NOLLIFGERWLBPP-UHFFFAOYSA-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 | 4485481 |
ChEMBL Link | CHEMBL435993 |