Compound ID | 2416

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Isoxazole (−)17j

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule;
Spectrum of activity: Antimycobacterial
Mechanism of action: Unknown
Target Pathogen: Active against Mycobacterium tuberculosis
Description: Synthetic compound (isoxazole); has high therapeutic index (182.5) relative to lethal dose; potentiates isoniazid; analogues reported
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 545.8
Iso. SMILES: C1=CC=C(C(=C1)C2=C(C(=NO2)C3=CC=CC(=C3)CC(=O)O)C(=O)NCCOC4=C(C=C(C=C4)Cl)Cl)Cl
InChI Key: JYAAMGHQVBAUOL-UHFFFAOYSA-N
Can. SMILES: C1=CC(=C(C=C1)Cl)C2=C(C(=NO2)C3=CC(=CC=C3)CC(=O)O)C(=O)NCCOC4=CC=C(C=C4Cl)Cl
InChI: InChI=1S/C26H19Cl3N2O5/c27-17-8-9-21(20(29)14-17)35-11-10-30-26(34)23-24(16-5-3-4-15(12-16)13-22(32)33)31-36-25(23)18-6-1-2-7-19(18)28/h1-9,12,14H,10-11,13H2,(H,30,34)(H,32,33)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/25263400
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.3c00358

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