Compound ID | 3070

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LEI-800

Class: DNA synthesis inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against fluoroquinolone-resistant Escherichia coli and Klebsiella pneumoniae; binds to a hydrophobic pocket in the GyrA subunit; bacterial topoisomerase inhibitor
Description: Synthetic compound modified from a hit in a screening small molecule library; an isoquinoline sulfonamide
Institute where first reported: Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University, Leiden, the Netherlands
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 444.55
Iso. SMILES: C1=CC2=CN=CC=C2C(=C1)S(=O)(=O)NC[C@@H]3CC[C@H](C4=CC=C(C=C4)C5=CC=CN=C5)N3
InChI Key: WDMXDRLBFHUECN-LADGPHEKSA-N
Can. SMILES: C1=CC2=CN=CC=C2C(=C1)S(=O)(=O)NC[C@@H]3CC[C@H](C4=CC=C(C=C4)C5=CC=CN=C5)N3
InChI: InChI=1S/C25H24N4O2S/c30-32(31,25-5-1-3-21-16-27-14-12-23(21)25)28-17-22-10-11-24(29-22)19-8-6-18(7-9-19)20-4-2-13-26-15-20/h1-9,12-16,22,24,28-29H,10-11,17H2/t22-,24+/m0/s1
External links:
Guide to Pharmacology: LEI-800
Citation: https://www.nature.com/articles/s41557-024-01516-x

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