LEI-800

Class: Bacterial topoisomerase 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
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):
Canonical 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
Isomeric 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
InChI Key:	WDMXDRLBFHUECN-LADGPHEKSA-N

External links:
Guide to Pharmacology:	LEI-800
Main Source:	https://www.nature.com/articles/s41557-024-01516-x