Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0A2BE
|
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| Former ID |
DNC011919
|
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| Drug Name |
CLEBOPRIDE
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [526544] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C20H24ClN3O2
|
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| Canonical SMILES |
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N
|
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| 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)
|
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| InChIKey |
BVPWJMCABCPUQY-UHFFFAOYSA-N
|
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| CAS Number |
CAS 55905-53-8
|
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| PubChem Compound ID | |||||
| SuperDrug ATC ID |
A03FA06
|
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| Target and Pathway | |||||
| Target(s) | D(2) dopamine receptor | Target Info | Inhibitor | [526544] | |
| Acetylcholinesterase | Target Info | Inhibitor | [527214] | ||
| 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 | ||||
| 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 526544 | J 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 527214 | J 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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