Drug Information

Drug General Information
Drug ID
D0O1PM
Former ID
DNC004003
Drug Name
(4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine
Synonyms
4-ethynyl-N,N-dipropylcyclohex-3-enamine
Indication Discovery agent Investigative [525701]
Structure
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2D MOL

3D MOL
Canonical SMILES
CCCN(CCC)C1CCC(=CC1)C#C
InChI
1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
InChIKey
IOUKEEFTYOZOKJ-UHFFFAOYSA-N
Target and Pathway
Target(s) D(3) dopamine receptor Target Info Inhibitor [529734]
D(2) dopamine receptor Target Info Inhibitor [525701]
D(4) dopamine receptor Target Info Inhibitor [525701]
KEGG Pathway Neuroactive ligand-receptor interaction
Dopaminergic synapsehsa04015:Rap1 signaling pathway
cAMP signaling pathway
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholismhsa04080:Neuroactive ligand-receptor interaction
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 pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Nicotine pharmacodynamics pathway
Reactome Dopamine receptors
G alpha (i) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (i) signalling events
WikiPathways Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signaling
Nicotine Activity on Dopaminergic Neurons
GPCRs, OtherWP666:Hypothetical Network for Drug Addiction
Genes and (Common) Pathways Underlying Drug Addiction
Nicotine Activity on Dopaminergic NeuronsWP666:Hypothetical Network for Drug Addiction
GPCRs, Other
References
Ref 525701J Med Chem. 2000 Feb 24;43(4):756-62.Conjugated enynes as nonaromatic catechol bioisosteres: synthesis, binding experiments, and computational studies of novel dopamine receptor agonists recognizing preferentially the D(3) subtype.
Ref 525701J Med Chem. 2000 Feb 24;43(4):756-62.Conjugated enynes as nonaromatic catechol bioisosteres: synthesis, binding experiments, and computational studies of novel dopamine receptor agonists recognizing preferentially the D(3) subtype.
Ref 529734J Med Chem. 2008 Nov 13;51(21):6829-38. Epub 2008 Oct 4.Novel D3 selective dopaminergics incorporating enyne units as nonaromatic catechol bioisosteres: synthesis, bioactivity, and mutagenesis studies.

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