Compound ID | 2129

Update compound information

IMB-0042

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Lipopolysaccharide synthesis inhibitor. Disrupts LptA/LptC interaction by binding to both LptA and LptC, impairing outer membrane integrity and causing accumulation of lipopolysaccharide in the periplasm
Description: Synthetic compound
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 487.58
Iso. SMILES: CN(C1=CC=C(C=C1)/C=C/C2=CC(C(C)(C)C)=[O+]C(C(C)(C)C)=C2)C.[O-]S(=O)(C(F)(F)F)=O
InChI Key: FOCRNKKEXDXJQT-RRABGKBLSA-M
Can. SMILES: CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)/C=C/C2=CC=C(C=C2)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C23H32NO.CHF3O3S/c1-22(2,3)20-15-18(16-21(25-20)23(4,5)6)10-9-17-11-13-19(14-12-17)24(7)8;2-1(3,4)8(5,6)7/h9-16H,1-8H3;(H,5,6,7)/q+1;/p-1/b10-9+;
External links:
Citations:
  • https://www.mdpi.com/2079-6382/11/10/1385
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9598311/

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