Compound ID | 2921

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Compound 681

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Folate synthesis inhibitor. FabK inhibitor
Target Pathogen: Active against Fusobacterium nucleatum (an oral pathobiont) and Streptococcus sp.
Description: Synthetic compound; phenylimidazole analogue; no cytotoxicity towards mammalian cell lines at >100 ug/ml (highest tested)
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 506.4
Iso. SMILES: O=S(C1=CC=2SC(NC(NCC3=NC(C4=CC=C(Br)C=C4)=CN3)=O)=NC2C=C1)(C)=O
InChI Key: KTNZQYYUBWBVDB-UHFFFAOYSA-N
Can. SMILES: CS(=O)(=O)C1=CC2=C(C=C1)N=C(NC(=O)NCC3=NC(=CN3)C4=CC=C(C=C4)Br)S2
InChI: InChI=1S/C19H16BrN5O3S2/c1-30(27,28)13-6-7-14-16(8-13)29-19(24-14)25-18(26)22-10-17-21-9-15(23-17)11-2-4-12(20)5-3-11/h2-9H,10H2,1H3,(H,21,23)(H2,22,24,25,26)
External links:
Citation: https://pubs.acs.org/doi/10.1021/acsinfecdis.3c00710

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