General Property |
Molceule ID (DB) | EGIN0003663 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 5h compound |
IUPAC Name | 4-N-(3-bromophenyl)-6-N-[2-(dimethylamino)ethyl]pyrido[3,4-d]pyrimidine-4,6-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 | 11.92 |
Smiles | c1(c2c(ncn1)cnc(c2)NCCN(C)C)Nc1cc(Br)ccc1 |
InChI | 1S/C17H19BrN6/c1-24(2)7-6-19-16-9-14-15(10-20-16)21-11-22-17(14)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 | RMBTVBFZJFUISC-UHFFFAOYSA-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 | 9513602 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | c-Src | IR | PDGFR | FGFR | PDGFR | FGFR | c-Src | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 4485519 |
ChEMBL Link | CHEMBL162034 |