General Property |
Molceule ID (DB) | EGIN0003839 |
Inhibitor Class | Pyrimido-indole |
Molecule Name in Refrence Article | 44 compound |
IUPAC Name | N-(3-bromophenyl)-3H-pyrimido[4,5-b]indol-4-amine |
Formula | C16H11BrN4 |
Mass | 339.189 |
Exact Mass | 338.016709 |
Composition | C (56.66%), H (3.27%), Br (23.56%), N (16.52%) |
Atom Count | 32 |
PI | 5.34 |
Smiles | c12c(nc3c2cccc3)nc[nH]c1Nc1cc(Br)ccc1 |
InChI | 1S/C16H11BrN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,
21) |
InChIKey | MHRKNNUUCCNFPI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003839.png) | Structure Backbone | ![](./frame/f_EGIN0003839.png) |
|
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 | 10639288 |
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 |
5328392
|
Drug Bank Link | - |
ChemSpider Link | 4485557 |
ChEMBL Link | CHEMBL423224 |