Drug Information

Drug General Information
Drug ID
D03LMR
Former ID
DNC006400
Drug Name
6-benzyl-3-ethoxycarbonyl-4-quinolone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528134]
Structure
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2D MOL

3D MOL
Formula
C19H17NO3
Canonical SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)CC3=CC=CC=C3
InChI
1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
InChIKey
WQYYZNGOTUCWQX-UHFFFAOYSA-N
PubChem Compound ID
11529633
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [528134]
Gamma-aminobutyric acid receptor subunit beta-2 Target Info Inhibitor [528134]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [528134]
Gamma-aminobutyric acid receptor Target Info Inhibitor [528134]
Gamma-aminobutyric-acid receptor alpha-3 subunit Target Info Inhibitor [528134]
KEGG Pathway Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
Serotonergic synapse
Nicotine addiction
Reactome Ligand-gated ion channel transport
GABA A receptor activationR-HSA-975298:Ligand-gated ion channel transport
GABA A receptor activation
WikiPathways SIDS Susceptibility Pathways
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transport
References
Ref 528134J Med Chem. 2006 Apr 20;49(8):2526-33.4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling.
Ref 528134J Med Chem. 2006 Apr 20;49(8):2526-33.4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling.

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