Drug Information

Drug General Information
Drug ID
D02XUD
Former ID
DNC010676
Drug Name
4-(biphenyl-3-yl)-5-(piperidin-4-yl)isoxazol-3-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530818]
Structure
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2D MOL

3D MOL
Formula
C20H20N2O2
Canonical SMILES
C1CNCCC1C2=C(C(=O)NO2)C3=CC=CC(=C3)C4=CC=CC=C4
InChI
1S/C20H20N2O2/c23-20-18(19(24-22-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,22,23)
InChIKey
KLKHVLINJXRNBG-UHFFFAOYSA-N
PubChem Compound ID
16203494
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [530818]
Gamma-aminobutyric acid receptor subunit beta-2 Target Info Inhibitor [530818]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [530818]
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 530818J Med Chem. 2010 Apr 22;53(8):3417-21.Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relationships.
Ref 530818J Med Chem. 2010 Apr 22;53(8):3417-21.Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relationships.

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