Compound ID | 2414

Update compound information

4-[4-(Anilinomethyl)-3-phenylpyrazol-1-yl]benzoic acid derivative 44

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Fatty acid synthesis inhibitor. FabG, FabK, and FabZ inhibitor
Target Pathogen: Active against methicillin-resistant and -susceptible Staphylococcus aureus
Description: Synthetic compound
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 534.3
Iso. SMILES: C1=CC(=CC(=C1)F)C2=NN(C=C2CNC3=CC(=C(C=C3)Br)C(F)(F)F)C4=CC=C(C=C4)C(=O)O
InChI Key: BBCNDXNURGQGSQ-UHFFFAOYSA-N
Can. SMILES: C1=CC(=CC(=C1)C2=NN(C=C2CNC3=CC=C(C(=C3)C(F)(F)F)Br)C4=CC=C(C=C4)C(=O)O)F
InChI: InChI=1S/C24H16BrF4N3O2/c25-21-9-6-18(11-20(21)24(27,28)29)30-12-16-13-32(19-7-4-14(5-8-19)23(33)34)31-22(16)15-2-1-3-17(26)10-15/h1-11,13,30H,12H2,(H,33,34)
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/169450058
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.3c00969

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