Drug Information

Drug General Information
Drug ID
D04AAI
Former ID
DNC010446
Drug Name
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530725]
Structure
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2D MOL

3D MOL
Formula
C18H22N2O2S
Canonical SMILES
CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)CC3=CC=CC=C3
InChI
1S/C18H22N2O2S/c1-23(21,22)18-9-5-8-17(14-18)20-12-10-19(11-13-20)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
InChIKey
DABGEKAEKHHGFN-UHFFFAOYSA-N
PubChem Compound ID
45380179
Target and Pathway
Target(s) D(2) dopamine receptor Target Info Inhibitor [530725]
KEGG Pathway Rap1 signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholism
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Dopamine receptor mediated signaling pathway
Nicotine pharmacodynamics pathway
Reactome Dopamine receptors
G alpha (i) signalling events
WikiPathways Hypothetical Network for Drug Addiction
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Genes and (Common) Pathways Underlying Drug Addiction
GPCR ligand binding
GPCR downstream signaling
Nicotine Activity on Dopaminergic Neurons
References
Ref 530725J Med Chem. 2010 Mar 25;53(6):2510-20.Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).
Ref 530725J Med Chem. 2010 Mar 25;53(6):2510-20.Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).

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