| General Property |
| Molceule ID (DB) | EGIN0002987 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | 3-(2-{[3-(2-carboxyethyl)-5-methyl-1H-indol-2-yl]disulfanyl}-5-methyl-1H-indol-3-yl)propanoic acid |
| Formula | C24H24N2O4S2 |
| Mass | 468.588 |
| Exact Mass | 468.1177486 |
| Composition | C (61.52%), H (5.16%), N (5.98%), O (13.66%), S (13.69%) |
| Atom Count | 56 |
| PI | No isoelectric point. |
| Smiles | c1(c(c2c([nH]1)ccc(c2)C)CCC(=O)O)SSc1c(c2c([nH]1)ccc(c2)C)CCC(=O)O |
| InChI | 1S/C24H24N2O4S2/c1-13-3-7-19-17(11-13)15(5-9-21(27)28)23(25-19)31-32-24-16(6-10-22(29)30)18-12-14(2)
4-8-20(18)26-24/h3-4,7-8,11-12,25-26H,5-6,9-10H2,1-2H3,(H,27,28)(H,29,30) |
| InChIKey | LOGBNOOWFMSMKQ-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 |
5328562
|
| Drug Bank Link | - |
| ChemSpider Link | 4485726 |
| ChEMBL Link | CHEMBL83559 |
