Compound ID | 3646

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Indane-containing NBTI 18c

Synonym(s): Compound 18c

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: DNA synthesis inhibitor. DNA gyrase and topoisomerase IV inhibitor
Target Pathogen: Active against Escherichia coli, Acinetobacter baumannii, Klebsiella pneumoniae, and Pseudomonas aeruginosa
Description: Synthetic compound; shows >100 IC50 towards human topoisomerase IIa vs 0.1~0.16 IC50 to bacterial topoisomerase IV and gyrase
Institute where first reported: Hoffmann-La Roche Ltd.
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight:
Iso. SMILES: N#CC1=CC=CC2=C1CC(CNCCC3CN(C4=NC5=C(OCC(N5)=O)C=C4)C(O3)=O)C2
InChI Key: RXANXGVEULKMLY-UHFFFAOYSA-N
Can. SMILES: C1=CC(=C2CC(CC2=C1)CNCCC3CN(C4=CC=C5C(=N4)NC(=O)CO5)C(=O)O3)C#N
InChI: InChI=1S/C23H23N5O4/c24-10-16-3-1-2-15-8-14(9-18(15)16)11-25-7-6-17-12-28(23(30)32-17)20-5-4-19-22(26-20)27-21(29)13-31-19/h1-5,14,17,25H,6-9,11-13H2,(H,26,27,29)
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/156862137
Citation: https://pubs.acs.org/doi/10.1021/acsmedchemlett.3c00187

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