Compound ID | 2466

Update compound information

MsbA-IN-6

Synonym(s): HY-130004

Class: Drug efflux pump inhibitor

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Efflux pump inhibitor. Targets ABC transporter (MsbA)
Target Pathogen: Active against Escherichia coli, Klebsiella pneumoniae, and Enterobacter cloacae
Description: Synthetic compound; analogues reported
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 451.35
Iso. SMILES: C[C@@H](C1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C=CC(=C3C4CC4)/C=C/C5=NNN=N5
InChI Key: BRIRTHDHCSCYFI-WONIAPNHSA-N
Can. SMILES: C[C@@H](C1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C4CC4)C(=CC=C3C=C2)/C=C/C5=NNN=N5
InChI: InChI=1S/C24H20Cl2N4O/c1-14(23-20(25)3-2-4-21(23)26)31-18-11-9-15-5-6-17(10-12-22-27-29-30-28-22)24(16-7-8-16)19(15)13-18/h2-6,9-14,16H,7-8H2,1H3,(H,27,28,29,30)/b12-10+/t14-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/162679249
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c01909

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