Compound ID | 634

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DQ1

Synonym(s): DQ-1  |  DQ 1

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Cell wall synthesis inhibitor. MurF inhibitor
Target Pathogen: Active only against lipopolysaccharide-defective Escherichia coli
Description: Synthetic compound with diarylquinoline scaffold
Institute where first reported: Johnson & Johnson Pharmaceutical Research & Development, US
Year first mentioned: 2007
Development status: Experimental
Reason dropped: Low activity against Gram negatives such as E. coli due to issues of entering cell, but this was an early member of its class, optimisation has led to bedaquiline being approved by FDA in 2012
Chemical structure(s):
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Molecular weight: 456.58
Iso. SMILES: CN(C)CC[C@@](C1=CC=CC=C1)(O)[C@H](C2=CC=CC=C2)C3=CC4=C(N=C3OC)C=CC(OC)=C4
InChI Key: NDCIQFVAMXGSDQ-PXJZQJOASA-N
Can. SMILES: CN(C)CC[C@](C1=CC=CC=C1)([C@H](C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)OC)OC)O
InChI: InChI=1S/C29H32N2O3/c1-31(2)18-17-29(32,23-13-9-6-10-14-23)27(21-11-7-5-8-12-21)25-20-22-19-24(33-3)15-16-26(22)30-28(25)34-4/h5-16,19-20,27,32H,17-18H2,1-4H3/t27-,29+/m1/s1
External links:
Citation: https://doi.org/10.1128/aac.00166-09

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