General Property |
Molceule ID (DB) | EGIN0003843 |
Inhibitor Class | Pyrimido-indole |
Molecule Name in Refrence Article | 48 compound |
IUPAC Name | 4-N-(3-bromophenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine |
Formula | C16H12BrN5 |
Mass | 354.204 |
Exact Mass | 353.0276081 |
Composition | C (54.25%), H (3.41%), Br (22.56%), N (19.77%) |
Atom Count | 34 |
PI | 9.59 |
Smiles | c12c(c(nc(n1)N)Nc1cc(Br)ccc1)c1c([nH]2)cccc1 |
InChI | 1S/C16H12BrN5/c17-9-4-3-5-10(8-9)19-14-13-11-6-1-2-7-12(11)20-15(13)22-16(18)21-14/h1-8H,(H4,18,19,2
0,21,22) |
InChIKey | NOUNTOCKLNSANP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003843.png) | Structure Backbone | ![](./frame/f_EGIN0003843.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 |
5328396
|
Drug Bank Link | - |
ChemSpider Link | 4485561 |
ChEMBL Link | CHEMBL345988 |