Compound ID | 3644

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Indane-containing NBTI 17a

Synonym(s): Compound 17a

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 and Acinetobacter baumannii
Description: Synthetic compound with coumarin-indane scaffold
Institute where first reported: Roche Pharma Research & Early Development, F. Hoffmann-La Roche Ltd
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight:
Iso. SMILES: C1C(CC2=C1C=CC=C2Cl)CNCCC3CN(C(=O)O3)C4=NC5=C(C=C4)OCC(=O)N5
InChI Key: UEWSGKREJWLMAB-UHFFFAOYSA-N
Can. SMILES: C1=CC(=C2CC(CC2=C1)CNCCC3CN(C4=CC=C5C(=N4)NC(=O)CO5)C(=O)O3)Cl
InChI: InChI=1S/C22H23ClN4O4/c23-17-3-1-2-14-8-13(9-16(14)17)10-24-7-6-15-11-27(22(29)31-15)19-5-4-18-21(25-19)26-20(28)12-30-18/h1-5,13,15,24H,6-12H2,(H,25,26,28)
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/156861769
Citation: https://pubs.acs.org/doi/10.1021/acsmedchemlett.3c00187

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