Drug General Information
Drug ID
D0A2BE
Former ID
DNC011919
Drug Name
CLEBOPRIDE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526544]
Structure
Download
2D MOL

3D MOL

Formula
C20H24ClN3O2
Canonical SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N
InChI
1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
InChIKey
BVPWJMCABCPUQY-UHFFFAOYSA-N
CAS Number
CAS 55905-53-8
PubChem Compound ID
SuperDrug ATC ID
A03FA06
Target and Pathway
Target(s) D(2) dopamine receptor Target Info Inhibitor [526544]
Acetylcholinesterase Target Info Inhibitor [527214]
KEGG Pathway Rap1 signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholismhsa00564:Glycerophospholipid metabolism
Cholinergic synapse
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 pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
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 NeuronsWP727:Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer Pathway
References
Ref 526544J Med Chem. 2003 Feb 27;46(5):702-15.Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity.
Ref 526544J Med Chem. 2003 Feb 27;46(5):702-15.Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity.
Ref 527214J Med Chem. 2004 Sep 23;47(20):4818-28.Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.

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