| General Property |
| Molceule ID (DB) | EGIN0002977 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 2l compound |
| IUPAC Name | 2-(2-{[3-(carboxymethyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indol-3-yl)acetic acid |
| Formula | C22H20N2O4S2 |
| Mass | 440.535 |
| Exact Mass | 440.0864485 |
| Composition | C (59.98%), H (4.58%), N (6.36%), O (14.53%), S (14.56%) |
| Atom Count | 50 |
| PI | No isoelectric point. |
| Smiles | c1(c(c2c(n1C)cccc2)CC(=O)O)SSc1c(c2c(n1C)cccc2)CC(=O)O |
| InChI | InChI=1S/C22H20N2O4S2/c1-23-17-9-5-3-7-13(17)15(11-19(25)26)21(23)29-30-22-16(12-20(27)28)14-8-4-6-1
0-18(14)24(22)2/h3-10H,11-12H2,1-2H3,(H,25,26)(H,27,28) |
| InChIKey | InChIKey=QWGHOVCDGWDKON-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 |
5328551
|
| Drug Bank Link | - |
| ChemSpider Link | 4485715 |
| ChEMBL Link | CHEMBL84141 |
