Drug Information

Drug General Information
Drug ID
D0I4HT
Former ID
DNC012885
Drug Name
4-Naphthalen-1-yl-5-piperidin-4-yl-isoxazol-3-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527382]
Structure
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2D MOL

3D MOL
Formula
C18H18N2O2
Canonical SMILES
C1CNCCC1C2=C(C(=O)NO2)C3=CC=CC4=CC=CC=C43
InChI
1S/C18H18N2O2/c21-18-16(17(22-20-18)13-8-10-19-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,19H,8-11H2,(H,20,21)
InChIKey
WDMOSRJVOUIQMD-UHFFFAOYSA-N
PubChem Compound ID
11303367
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [527382]
Gamma-aminobutyric acid receptor Target Info Inhibitor [527382]
Gamma-aminobutyric acid receptor subunit beta-2 Target Info Inhibitor [527382]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [527382]
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 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 transportWP706:SIDS Susceptibility Pathways
Iron uptake and transport
References
Ref 527382J Med Chem. 2005 Jan 27;48(2):427-39.Potent 4-aryl- or 4-arylalkyl-substituted 3-isoxazolol GABA(A) antagonists: synthesis, pharmacology, and molecular modeling.
Ref 527382J Med Chem. 2005 Jan 27;48(2):427-39.Potent 4-aryl- or 4-arylalkyl-substituted 3-isoxazolol GABA(A) antagonists: synthesis, pharmacology, and molecular modeling.

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