Compound ID | 857

Update compound information

Timcodar

Synonym(s): VX-853

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Efflux pump inhibitor. Inhibits efflux pumps to potentiate activity of antibiotics; mammalian and bacterial efflux pump inhibitor
Target Pathogen: Active against Staphylococcus aureus
Combined with other compounds: No effect alone but needs to be mixed with another antibiotic compound such as rifampin
Description: A repurposed mammalian efflux pump inhibitor
Institute where first reported: Vertex Pharmaceuticals, USA
Year first mentioned: 2009
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 749.3
Iso. SMILES: CN([C@@H](CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI Key: MQSMWZHHUGSULF-QNGWXLTQSA-N
Can. SMILES: CN([C@@H](CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI: InChI=1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9811664
Guide to Pharmacology: timcodar
Citation: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4325793/

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