Compound ID | 3664

Update compound information

FabH-IN-2

Synonym(s): CHEMBL5555396  |  orb3133341  |  HY-162087  |  CS-0926483

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Fatty acid synthesis inhibitor. FabH (Fatty acid biosynthesis: 3-oxoacyl-[acyl-carrier-protein] synthase III)
Target Pathogen: Escherichia coli
Description: Optimized FabH inhibitor from a medicinal chemistry SAR series targeting bacterial FAS-II pathway
Institute where first reported: Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences
Year first mentioned: 2024
Highest development stage: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 366.37
Iso. SMILES: COC(=O)C1=CNC2=C1C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4
InChI Key: ZGQFJEQKSDZEGB-UHFFFAOYSA-N
Can. SMILES: COC(=O)C1=CNC2=C1C=CC(=C2)NC(=O)C3=CC=C4C(=C3)OCCCO4
InChI: InChI=1S/C20H18N2O5/c1-25-20(24)15-11-21-16-10-13(4-5-14(15)16)22-19(23)12-3-6-17-18(9-12)27-8-2-7-26-17/h3-6,9-11,21H,2,7-8H2,1H3,(H,22,23)
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/170453129
Citation: https://doi.org/10.1016/j.ejmech.2023.116064
Patent: CN114478474A

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