Drug Information

Drug General Information
Drug ID
D04ZMS
Former ID
DNC004823
Drug Name
3-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527368]
Structure
Download
2D MOL

3D MOL
Formula
C22H25NO2
Canonical SMILES
C1CN(CCC1CC2=CC=CC=C2)CC3COC4=CC=CC=C4C3=O
InChI
1S/C22H25NO2/c24-22-19(16-25-21-9-5-4-8-20(21)22)15-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2
InChIKey
ODWZSCLUZWGCOH-UHFFFAOYSA-N
PubChem Compound ID
11773145
Target and Pathway
Target(s) 5-hydroxytryptamine 1A receptor Target Info Inhibitor [527368]
D(2) dopamine receptor Target Info Inhibitor [527368]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapsehsa04015:Rap1 signaling pathway
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholism
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathwayP00026: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 Serotonin receptors
G alpha (i) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (i) signalling events
WikiPathways Serotonin HTR1 Group and FOS Pathway
SIDS Susceptibility Pathways
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signalingWP666:Hypothetical Network for Drug Addiction
Genes and (Common) Pathways Underlying Drug Addiction
GPCR downstream signaling
Nicotine Activity on Dopaminergic Neurons
References
Ref 527368J Med Chem. 2005 Jan 13;48(1):266-73.Synthesis and structure-activity relationships of 1-aralkyl-4-benzylpiperidine and 1-aralkyl-4-benzylpiperazine derivatives as potent sigma ligands.
Ref 527368J Med Chem. 2005 Jan 13;48(1):266-73.Synthesis and structure-activity relationships of 1-aralkyl-4-benzylpiperidine and 1-aralkyl-4-benzylpiperazine derivatives as potent sigma ligands.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.