Drug Information

Drug General Information
Drug ID
D05OOA
Former ID
DNC013005
Drug Name
6-ethyl-3-pentoxycarbonyl-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
CCCCCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)CC
InChI
1S/C17H21NO3/c1-3-5-6-9-21-17(20)14-11-18-15-8-7-12(4-2)10-13(15)16(14)19/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)
InChIKey
DEHHQRSKBIBSBX-UHFFFAOYSA-N
PubChem Compound ID
11492986
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 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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