Compound ID | 2812

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CU032

Class: Drug efflux pump inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against Gram-negatives; inhibits AcrAB-TolC activity
Description: Synthetic compound derived from identified Salmonella enterica serotype Typhimurium efflux pump modulators (EPM35) with increased potency and high selectivity
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: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 305.2
Iso. SMILES: C1CN(CC1N)CC(COC2=CC(=C(C=C2)Cl)Cl)O
InChI Key: IIYBAUNDLOGDON-UHFFFAOYSA-N
Can. SMILES: C1=C(C=C(C(=C1)Cl)Cl)OCC(CN2CCC(C2)N)O
InChI: InChI=1S/C13H18Cl2N2O2/c14-12-2-1-11(5-13(12)15)19-8-10(18)7-17-4-3-9(16)6-17/h1-2,5,9-10,18H,3-4,6-8,16H2
External links:
Citation: https://journals.asm.org/doi/10.1128/mbio.02492-23

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