Drug Information

Drug General Information
Drug ID
D09AVL
Former ID
DNC006215
Drug Name
4-benzyl-5-(4-piperidyl)isothiazol-3-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528034]
Structure
Download
2D MOL

3D MOL
Formula
C15H18N2OS
Canonical SMILES
C1CNCCC1C2=C(C(=O)NS2)CC3=CC=CC=C3
InChI
1S/C15H18N2OS/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18)
InChIKey
VUKNNEXTWWCNCW-UHFFFAOYSA-N
PubChem Compound ID
11515916
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [528034]
Gamma-aminobutyric acid receptor Target Info Inhibitor [528034]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [528034]
KEGG Pathway Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
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 528034J Med Chem. 2006 Feb 23;49(4):1388-96.Potent 4-arylalkyl-substituted 3-isothiazolol GABA(A) competitive/noncompetitive antagonists: synthesis and pharmacology.
Ref 528034J Med Chem. 2006 Feb 23;49(4):1388-96.Potent 4-arylalkyl-substituted 3-isothiazolol GABA(A) competitive/noncompetitive antagonists: synthesis and pharmacology.

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