Compound ID | 3290

Update compound information

JEDI-852

Synonym(s): JEDI852  |  JEDI 852

Class: Lipopolysaccharide synthesis inhibitor (LpxH inhibitor)

Spectrum of activity: Gram-negative
Details of activity: Active against efflux-defective Escherichia coli
Propensity to select resistant mutants: Yes
Description: Synthetic compound; shows low cytotoxicity towards HepG2 cells (IC50 >32 uM vs MIC 4-8 mg/L)
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 451.56
Iso. SMILES: CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C
InChI Key: WMMQKHOYQUOGHM-UHFFFAOYSA-N
Can. SMILES: CN(C1=C(C=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C
InChI: InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/1228113
Guide to Pharmacology: JEDI-852
Citation: https://www.pnas.org/doi/abs/10.1073/pnas.2317274121?doi=10.1073%2Fpnas.2317274121
Patent: WO 2022/220725

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