Compound ID | 2815

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EPM35

Class: Drug efflux pump inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against Salmonella enterica; binds to AcrB of the RND efflux pump (confirmed not to disrupt integrity or potential of cell membrane)
Description: Synthetic compound identified from the screening platform SAFIRE (Screen for Anti-Infectives using Fluorescence microscopy of intracellular Enterobacteriaceae); active against Gram-negatives within a host cell (i.e. macrophage and epithelial cells); does not show activity in standard laboratory medium; shows synergistic effect with erythromycin or ciprofloxacin in macrophages
Institute where first reported: Molecular, Cellular, and Developmental Biology, University of Colorado Boulder, Boulder, Colorado, USA; Cleveland Center for Membrane and Structural Biology, Case Western Reserve University School of Medicine, Cleveland, Ohio, USA; Department of Pharmacology, Case Western Reserve University School of Medicine, Cleveland, Ohio, USA
Year first mentioned: 2018
Development status: Experimental
Chemical structure(s):
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Molecular weight: 465.3
Iso. SMILES: C1CN(CCC1NC2=NC=CC(=N2)C(F)(F)F)CC(COC3=CC(=C(C=C3)Cl)Cl)O
InChI Key: DEXPLCIUOWIUDC-UHFFFAOYSA-N
Can. SMILES: C1=C(C=C(C(=C1)Cl)Cl)OCC(CN2CCC(CC2)NC3=NC(=CC=N3)C(F)(F)F)O
InChI: InChI=1S/C19H21Cl2F3N4O2/c20-15-2-1-14(9-16(15)21)30-11-13(29)10-28-7-4-12(5-8-28)26-18-25-6-3-17(27-18)19(22,23)24/h1-3,6,9,12-13,29H,4-5,7-8,10-11H2,(H,25,26,27)
External links:
Citations:
  • https://journals.asm.org/doi/10.1128/mbio.02492-23
  • https://journals.plos.org/plospathogens/article?id=10.1371/journal.ppat.1007115

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