| General Property |
| Molceule ID (DB) | EGIN0002357 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | 5-[(4-methylphenyl)sulfanyl]-9H-pyrimido[4,5-b]indole-2,4-diamine |
| Formula | C17H15N5S |
| Mass | 321.4 |
| Exact Mass | 321.1048162 |
| Composition | C (63.53%), H (4.7%), N (21.79%), S (9.98%) |
| Atom Count | 38 |
| PI | 10.2 |
| Smiles | n1c(nc2c(c1N)c1c([nH]2)cccc1Sc1ccc(cc1)C)N |
| InChI | 1S/C17H15N5S/c1-9-5-7-10(8-6-9)23-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,1
8,19,20,21,22) |
| InChIKey | IMNBYLUXBBXZIY-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 | 20092323 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR1 | PDGFR beta | VEGFR-2/Flk-1 | ALL |
| Pub Chem Link |
25218207
|
| Drug Bank Link | - |
| ChemSpider Link | 24676472 |
| ChEMBL Link | CHEMBL1093100 |
