Compound ID | 2908

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PQQ16P

Class: Drug efflux pump inhibitor

Spectrum of activity: Gram-positive
Details of activity: Active against resistant Staphylococcus aureus (no synergistic effect when tested against susceptible Staphylococcus aureus); NorA efflux pump inhibitor
Description: Synthetic compound with no intrinsic antibacterial activity but restores ciprofloxacin activity; low cytotoxicity towards human cell lines (CC50 in HepG2 of 42 ug/ml and in THP-1 of >100 ug/ml vs MIC with ciprofloxacin of 0.78 ug/ml)
Institute where first reported: University of Perugia, Via del Liceo, 1, 06123 Perugia, Italy
Year first mentioned: 2018
Development status: Experimental
Chemical structure(s):
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Molecular weight: 420.54
Iso. SMILES: COC1=CC=C2C(C(OCCN3CCCCC3)=CC(C4=CC=C(OCCC)C=C4)=N2)=C1
InChI Key: KMFGCJWPFAWJQJ-UHFFFAOYSA-N
Can. SMILES: CCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)C(=C2)OCCN4CCCCC4
InChI: InChI=1S/C26H32N2O3/c1-3-16-30-21-9-7-20(8-10-21)25-19-26(31-17-15-28-13-5-4-6-14-28)23-18-22(29-2)11-12-24(23)27-25/h7-12,18-19H,3-6,13-17H2,1-2H3
External links:
Citations:
  • https://pubs.acs.org/doi/10.1021/acs.jmedchem.8b00791
  • https://pubs.acs.org/doi/10.1021/acs.jcim.3c00516

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