| General Property |
| Molceule ID (DB) | EGIN0002990 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 35compound |
| IUPAC Name | 4-(2-{[3-(3-carboxypropyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indol-3-yl)butanoic acid |
| Formula | C26H28N2O4S2 |
| Mass | 496.642 |
| Exact Mass | 496.1490488 |
| Composition | C (62.88%), H (5.68%), N (5.64%), O (12.89%), S (12.91%) |
| Atom Count | 62 |
| PI | No isoelectric point. |
| Smiles | c1(n(c2c(c1CCCC(=O)O)cccc2)C)SSc1n(c2c(c1CCCC(=O)O)cccc2)C |
| InChI | 1S/C26H28N2O4S2/c1-27-21-13-5-3-9-17(21)19(11-7-15-23(29)30)25(27)33-34-26-20(12-8-16-24(31)32)18-10
-4-6-14-22(18)28(26)2/h3-6,9-10,13-14H,7-8,11-12,15-16H2,1-2H3,(H,29,30)(H,31,32) |
| InChIKey | ODNORDFRKWRXFV-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 |
5328566
|
| Drug Bank Link | - |
| ChemSpider Link | 4485730 |
| ChEMBL Link | CHEMBL82214 |
