Drug Information

Drug General Information
Drug ID
D0KX3X
Former ID
DNC009271
Drug Name
MCL-516
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529541]
Structure
Download
2D MOL

3D MOL
Formula
C23H27NO3
Canonical SMILES
CCCCC(=O)OC1=CC=CC2=C1C3=CC(=CC4=C3C(C2)N(CC4)C)OC
InChI
1S/C23H27NO3/c1-4-5-9-21(25)27-20-8-6-7-15-13-19-22-16(10-11-24(19)2)12-17(26-3)14-18(22)23(15)20/h6-8,12,14,19H,4-5,9-11,13H2,1-3H3/t19-/m1/s1
InChIKey
NMUGDOOOAXACRK-LJQANCHMSA-N
PubChem Compound ID
44593524
Target and Pathway
Target(s) D(2) dopamine receptor Target Info Inhibitor [529850]
5-hydroxytryptamine 1A receptor Target Info Inhibitor [529541]
Dopamine D1 receptor Target Info Inhibitor [529850]
KEGG Pathway Rap1 signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholismhsa04024:cAMP signaling pathway
Serotonergic synapsehsa04020:Calcium signaling pathway
Amphetamine addiction
Morphine 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 pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathwayP05912:Dopamine receptor mediated signaling pathway
PathWhiz Pathway Dopamine Activation of Neurological Reward System
Reactome Dopamine receptors
G alpha (i) signalling eventsR-HSA-390666:Serotonin receptors
G alpha (i) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (s) 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 NeuronsWP722:Serotonin HTR1 Group and FOS Pathway
SIDS Susceptibility Pathways
GPCR downstream signalingWP666:Hypothetical Network for Drug Addiction
References
Ref 529541Bioorg Med Chem. 2008 Jul 15;16(14):6675-81. Epub 2008 Jun 5.Synthesis and pharmacological investigation of novel 2-aminothiazole-privileged aporphines.
Ref 529541Bioorg Med Chem. 2008 Jul 15;16(14):6675-81. Epub 2008 Jun 5.Synthesis and pharmacological investigation of novel 2-aminothiazole-privileged aporphines.
Ref 529850Bioorg Med Chem Lett. 2009 Jan 1;19(1):51-3. Epub 2008 Nov 13.Synthesis and neuropharmacological evaluation of esters of R(-)-N-alkyl-11-hydroxy-2-methoxynoraporphines.

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