| General Property |
| Molceule ID (DB) | EGIN0001008 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 42 compound |
| IUPAC Name | N-(4-methylphenyl)-5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-amine |
| Formula | C17H18N4 |
| Mass | 278.3516 |
| Exact Mass | 278.1531466 |
| Composition | C (73.35%), H (6.52%), N (20.13%) |
| Atom Count | 39 |
| PI | 10.31 |
| Smiles | n1cnc2c(c1Nc1ccc(cc1)C)c1c([nH]2)CCCC1 |
| InChI | 1S/C17H18N4/c1-11-6-8-12(9-7-11)20-16-15-13-4-2-3-5-14(13)21-17(15)19-10-18-16/h6-10H,2-5H2,1H3,(H2,
18,19,20,21) |
| InChIKey | GSPQFYBPSWLZAZ-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 | 8691423 |
| 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 |
13492282
|
| Drug Bank Link | - |
| ChemSpider Link | 10534093 |
| ChEMBL Link | CHEMBL74481 |
