Drug Information

Drug General Information
Drug ID
D02CZO
Former ID
DNC006399
Drug Name
6-ethyl-3-(3-methylbutoxycarbonyl)-4-quinolone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528134]
Structure
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2D MOL

3D MOL
Formula
C17H21NO3
Canonical SMILES
CCC1=CC2=C(C=C1)NC=C(C2=O)C(=O)OCCC(C)C
InChI
1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)
InChIKey
YQYRRRVQWIMSFP-UHFFFAOYSA-N
PubChem Compound ID
11587331
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 Target Info Inhibitor [528134]
Gamma-aminobutyric-acid receptor alpha-3 subunit Target Info Inhibitor [528134]
Gamma-aminobutyric acid receptor subunit gamma-2 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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