| General Property |
| Molceule ID (DB) | EGIN0002973 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 3-[3-(2-carboxyethyl)-2-sulfanyl-3H-indol-3-yl]propanoic acid |
| Formula | C14H15NO4S |
| Mass | 293.338 |
| Exact Mass | 293.0721787 |
| Composition | C (57.32%), H (5.15%), N (4.77%), O (21.82%), S (10.93%) |
| Atom Count | 35 |
| PI | 3.84 |
| Smiles | C1(C(=Nc2c1cccc2)S)(CCC(=O)O)CCC(=O)O |
| InChI | 1S/C14H15NO4S/c16-11(17)5-7-14(8-6-12(18)19)9-3-1-2-4-10(9)15-13(14)20/h1-4H,5-8H2,(H,15,20)(H,16,17
)(H,18,19) |
| InChIKey | IJOAKLSOTLZPAD-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 | 8355247 |
| 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 |
5328547
|
| Drug Bank Link | - |
| ChemSpider Link | 4485711 |
| ChEMBL Link | CHEMBL82640 |
