| General Property |
| Molceule ID (DB) | EGIN0003834 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 39 compound |
| IUPAC Name | N-[(1R)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-amine |
| Formula | C18H16N4 |
| Mass | 288.3464 |
| Exact Mass | 288.1374965 |
| Composition | C (74.98%), H (5.59%), N (19.43%) |
| Atom Count | 38 |
| PI | 8.17 |
| Smiles | c12ccccc1c1c([nH]2)c(ncn1)N[C@@H](c1ccccc1)C |
| InChI | 1S/C18H16N4/c1-12(13-7-3-2-4-8-13)21-18-17-16(19-11-20-18)14-9-5-6-10-15(14)22-17/h2-12,22H,1H3,(H,1
9,20,21)/t12-/m1/s1 |
| InChIKey | LITMWRKODNTXFW-GFCCVEGCSA-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 | 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 |
5328387
|
| Drug Bank Link | - |
| ChemSpider Link | 4485552 |
| ChEMBL Link | CHEMBL1192657 |
