General Property |
Molceule ID (DB) | EGIN0002989 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 33 compound |
IUPAC Name | 3-(2-{[3-(2-carboxyethyl)-7-methyl-1H-indol-2-yl]disulfanyl}-7-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([nH]c2c(c1CCC(=O)O)cccc2C)SSc1[nH]c2c(c1CCC(=O)O)cccc2C |
InChI | 1S/C24H24N2O4S2/c1-13-5-3-7-15-17(9-11-19(27)28)23(25-21(13)15)31-32-24-18(10-12-20(29)30)16-8-4-6-1
4(2)22(16)26-24/h3-8,25-26H,9-12H2,1-2H3,(H,27,28)(H,29,30) |
InChIKey | VSGQCGRYAAEEEL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002989.png) | Structure Backbone | ![](./frame/f_EGIN0002989.png) |
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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 |
5328564
|
Drug Bank Link | - |
ChemSpider Link | 4485728 |
ChEMBL Link | CHEMBL81664 |