General Property |
Molceule ID (DB) | EGIN0004213 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 3l compound |
IUPAC Name | 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine |
Formula | C17H19BrN6 |
Mass | 387.277 |
Exact Mass | 386.0854573 |
Composition | C (52.72%), H (4.95%), Br (20.63%), N (21.7%) |
Atom Count | 43 |
PI | 11.93 |
Smiles | n1cnc(c2c1cc(nc2)NCCN(C)C)Nc1cc(ccc1)Br |
InChI | 1S/C17H19BrN6/c1-24(2)7-6-19-16-9-15-14(10-20-16)17(22-11-21-15)23-13-5-3-4-12(18)8-13/h3-5,8-11H,6-
7H2,1-2H3,(H,19,20)(H,21,22,23) |
InChIKey | YOKVZXZOOHPMFL-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 | 4485471 |
ChEMBL Link | CHEMBL128432 |