| General Property |
| Molceule ID (DB) | EGIN0002356 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | 5-(phenylsulfanyl)-9H-pyrimido[4,5-b]indole-2,4-diamine |
| Formula | C16H13N5S |
| Mass | 307.373 |
| Exact Mass | 307.0891661 |
| Composition | C (62.52%), H (4.26%), N (22.78%), S (10.43%) |
| Atom Count | 35 |
| PI | 10.2 |
| Smiles | n1c(nc2c(c1N)c1c([nH]2)cccc1Sc1ccccc1)N |
| InChI | 1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19
,20,21) |
| InChIKey | DXZCXZCCPLYVDG-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 | VEGFR-2/Flk-1 | PDGFR beta | ALL |
| Pub Chem Link |
25181586
|
| Drug Bank Link | - |
| ChemSpider Link | 24670376 |
| ChEMBL Link | CHEMBL1093099 |
