| General Property |
| Molceule ID (DB) | EGIN0003845 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 50 compound |
| IUPAC Name | N-(3-bromophenyl)-9-[2-(diethylamino)ethyl]-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine |
| Formula | C23H26BrN5O |
| Mass | 468.389 |
| Exact Mass | 467.1320731 |
| Composition | C (58.98%), H (5.6%), Br (17.06%), N (14.95%), O (3.42%) |
| Atom Count | 56 |
| PI | 12.76 |
| Smiles | c12c(c3c(n1CCN(CC)CC)ccc(c3)OC)c(ncn2)Nc1cc(Br)ccc1 |
| InChI | 1S/C23H26BrN5O/c1-4-28(5-2)11-12-29-20-10-9-18(30-3)14-19(20)21-22(25-15-26-23(21)29)27-17-8-6-7-16(
24)13-17/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,25,26,27) |
| InChIKey | KGOOHLRXQJDOJF-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 | 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 |
5328398
|
| Drug Bank Link | - |
| ChemSpider Link | 4485563 |
| ChEMBL Link | CHEMBL153518 |
