Compound ID | 2264

Update compound information

Auranofin

Synonym(s): MMV688978

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive  &  Gram-negative
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):
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Molecular weight: 679.49
Iso. 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 Key: IRPYFWIZKIOHQN-XTZHGVARSA-N
Can. 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]
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
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/138402869
Guide to Pharmacology: auranofin
Citation: https://www.pnas.org/doi/10.1073/pnas.1504022112

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