Compound ID | 3531

Update compound information

SRI-12742

Class: Small molecule antibiotic

Spectrum of activity: Gram-negative
Details of activity: Active against Acinetobacter baumannii
Propensity to select resistant mutants: Yes
Description: Synthetic compound; identified from screening the ChemBridge library (ChemBridge ID # 6941439); shows cytotoxicity towards Vero cells at >40 mg/L (acceptable selectivity index >10); shows synergistic effect with antibiotics used in treating Acinetobacter baumannii; shows similar efficacy to polymyxin B in murine neutropenic thigh infection
Year first mentioned: 2018
Development status: Experimental
Chemical structure(s):
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Molecular weight: 343.88
Iso. SMILES: CC1=C(C=CC(=C1)Cl)NC(=S)NCCC2=CNC3=CC=CC=C32
InChI Key: NCOQXRXMRLIQEY-UHFFFAOYSA-N
Can. SMILES: CC1=CC(=CC=C1NC(=S)NCCC2=CNC3=C2C=CC=C3)Cl
InChI: InChI=1S/C18H18ClN3S/c1-12-10-14(19)6-7-16(12)22-18(23)20-9-8-13-11-21-17-5-3-2-4-15(13)17/h2-7,10-11,21H,8-9H2,1H3,(H2,20,22,23)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/702581
Citations:
  • https://pubmed.ncbi.nlm.nih.gov/29501820/
  • https://amr-conference.com/wp-content/uploads/2025/01/Titz.pdf

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