Compound ID | 2264
Class: TrxR inhibitor
Spectrum of activity: | Gram-positive |
Details of activity: | Active against replicating and non-replicating Mycobacterium tuberculosis, Staphylococcus aureus, Enterococcus sp., and Neisseria gon; target bacterial flavo enzyme (redox enzyme) |
Description: | Synthetic compound from screening pharmacologically active compounds; FDA-approved antirheumatic drug |
Year first mentioned: | 2015 |
Development status: | Experimental |
Chemical structure(s): | |
Canonical SMILES: | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.CC[PH+](CC)CC.[Au] |
Isomeric SMILES: | CC[PH+](CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au] |
InChI: | InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/t10-,11-,12+,13-,14+;;/m1../s1 |
InChI Key: | IRPYFWIZKIOHQN-XTZHGVARSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/138402869 |
External links: | |
Main Source: | https://www.pnas.org/doi/10.1073/pnas.1504022112 |