Drug Information

Drug General Information
Drug ID
D0K9JP
Former ID
DNC004664
Drug Name
A-80426
Drug Type
Small molecular drug
Indication Discovery agent Terminated [546043]
Structure
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2D MOL

3D MOL
Formula
C23H27NO2
Canonical SMILES
CN(CCC1=CC2=C(C=C1)C=CO2)CC3CCCC4=C3C=CC=C4OC
InChI
1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1
InChIKey
MHPMXTGKTXJIDI-IBGZPJMESA-N
PubChem Compound ID
9928332
Target and Pathway
Target(s) Alpha-2A adrenergic receptor Target Info Inhibitor [527481]
5-hydroxytryptamine 1A receptor Target Info Inhibitor [527799]
5-hydroxytryptamine 2A receptor Target Info Inhibitor [527799]
D(2) dopamine receptor Target Info Inhibitor [527799]
Alpha-2B adrenergic receptor Target Info Inhibitor [527481]
Sodium-dependent serotonin transporter Target Info Inhibitor [534352]
D(4) dopamine receptor Target Info Inhibitor [527481]
Alpha-2C adrenergic receptor Target Info Inhibitor [527481]
KEGG Pathway cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04024:cAMP signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapsehsa04020:Calcium signaling pathway
Gap junction
Serotonergic synapse
Inflammatory mediator regulation of TRP channelshsa04015:Rap1 signaling pathway
cAMP signaling pathway
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholismhsa04022:cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04726:Serotonergic synapsehsa04080:Neuroactive ligand-receptor interaction
Dopaminergic synapsehsa04022:cGMP-PKG signaling pathway
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Alpha adrenergic receptor signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathwayP04374:5HT2 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 pathwayP00002:Alpha adrenergic receptor signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathwayP04373:5HT1 type receptor mediated signaling pathway
5HT2 type receptor mediated signaling pathway
5HT3 type receptor mediated signaling pathway
5HT4 type receptor mediated signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Reactome Adrenoceptors
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
G alpha (i) signalling events
G alpha (z) signalling events
Surfactant metabolismR-HSA-390666:Serotonin receptors
G alpha (i) signalling eventsR-HSA-390666:Serotonin receptors
G alpha (q) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (i) signalling eventsR-HSA-390696:Adrenoceptors
G alpha (z) signalling eventsR-HSA-390651:Dopamine receptors
Surfactant metabolism
WikiPathways Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Platelet Aggregation (Plug Formation)
Integration of energy metabolism
GPCR ligand binding
GPCR downstream signalingWP722:Serotonin HTR1 Group and FOS Pathway
SIDS Susceptibility Pathways
GPCR downstream signalingWP733:Serotonin Receptor 2 and STAT3 Signaling
Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signaling
GPCRs, OtherWP666:Hypothetical Network for Drug Addiction
Genes and (Common) Pathways Underlying Drug Addiction
Nicotine Activity on Dopaminergic NeuronsWP58:Monoamine GPCRs
GPCR downstream signalingWP727:Monoamine Transport
NRF2 pathway
Synaptic Vesicle Pathway
Serotonin Transporter ActivityWP666:Hypothetical Network for Drug Addiction
Nicotine Activity on Dopaminergic Neurons
GPCRs, OtherWP58:Monoamine GPCRs
References
Ref 546043Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006017)
Ref 527481J Med Chem. 2005 Mar 24;48(6):2054-71.Discovery of a new series of centrally active tricyclic isoxazoles combining serotonin (5-HT) reuptake inhibition with alpha2-adrenoceptor blocking activity.
Ref 527799J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm.
Ref 534352J Med Chem. 1997 Mar 28;40(7):1049-62.Structure-activity studies for a novel series of N-(arylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-N-methylamine s possessing dual 5-HT uptake inhibitingand alpha2-antagonistic activities.

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