Compound ID | 2388

Update compound information

GW3965 HCl

Synonym(s): GW3965-HCl

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Indirect acting; Antivirulence;
Spectrum of activity: Gram-positive
Mechanism of action: Targets bacterial iron transport system; iron uptake (FeoB) inhibitor
Target Pathogen: Active against Staphylococcus aureus
Description: Synthetic compound
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 618.51
Iso. SMILES: C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4.Cl
InChI Key: NMPUWJFHNOUNQU-UHFFFAOYSA-N
Can. SMILES: C1=CC=C(C=C1)C(CN(CCCOC2=CC(=CC=C2)CC(=O)O)CC3=CC=CC(=C3Cl)C(F)(F)F)C4=CC=CC=C4.Cl
InChI: InChI=1S/C33H31ClF3NO3.ClH/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26;/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40);1H
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16078973
Citations:
  • https://www.sciencedirect.com/science/article/pii/S2472555222067867?via%3Dihub
  • https://pubs.acs.org/doi/10.1021/acschembio.0c00842

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