Compound ID | 3547

Update compound information

GSK693 

Synonym(s): GSK-693  |  GSK 693

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Antimycobacterial
Mechanism of action: Mycolic acid synthesis inhibitor. InhA inhibitor
Target Pathogen: Active against Mycobacterium tuberculosis
Description: Synthetic compound; shows no IC50 cytotoxicity towards HepG2 cells at >50 uM vs MIC at 0.2 uM
Institute where first reported: GlaxoSmithKline
Year first mentioned: 2016
Development status: Experimental
Chemical structure(s):
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Molecular weight: 419.55
Iso. SMILES: CC1=CSC(=N1)C(C)(C2=NN=C(S2)NC3=NN(C=C3)CC4=CSC(=N4)C)O
InChI Key: RPXZUCOCEKQSRG-UHFFFAOYSA-N
Can. SMILES: CC1=CSC(=N1)C(C)(C2=NN=C(NC3=NN(C=C3)CC4=CSC(=N4)C)S2)O
InChI: InChI=1S/C16H17N7OS3/c1-9-7-26-13(17-9)16(3,24)14-20-21-15(27-14)19-12-4-5-23(22-12)6-11-8-25-10(2)18-11/h4-5,7-8,24H,6H2,1-3H3,(H,19,21,22)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/68277821
Citation: https://www.sciencedirect.com/science/article/pii/S2352396416301906?via%3Dihub

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