Drug Information

Drug General Information
Drug ID
D0PN9R
Former ID
DNC007402
Drug Name
R-226161
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528772]
Structure
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2D MOL

3D MOL
Formula
C27H32FN3O4
Canonical SMILES
CC(=CC1=CC=C(C=C1)F)CN2CCN(CC2)CC3C4COC5=CC(=C(C=C5C4=N<br />O3)OC)OC
InChI
1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
InChIKey
UCNOTTVNPRSTFW-XSFNXXSESA-N
PubChem Compound ID
16655023
Target and Pathway
Target(s) Alpha-2C adrenergic receptor Target Info Inhibitor [528772]
Sodium-dependent serotonin transporter Target Info Inhibitor [528772]
Alpha-1A adrenergic receptor Target Info Inhibitor [528772]
Alpha-2B adrenergic receptor Target Info Inhibitor [528772]
D(3) dopamine receptor Target Info Inhibitor [528772]
Sodium-dependent dopamine transporter Target Info Inhibitor [528772]
Substance-P receptor Target Info Inhibitor [528772]
Alpha-2A adrenergic receptor Target Info Inhibitor [528772]
Histamine H1 receptor Target Info Inhibitor [528772]
KEGG Pathway cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04726:Serotonergic synapsehsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
AMPK signaling pathway
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretionhsa04022:cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Dopaminergic synapsehsa04728:Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholismhsa04020:Calcium signaling pathway
Measleshsa04022:cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Inflammatory mediator regulation of TRP channels
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway 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 pathwayP00002:Alpha adrenergic receptor signaling pathwayP00002:Alpha adrenergic receptor signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathwayP00001:Adrenaline and noradrenaline biosynthesis
Parkinson disease
Dopamine receptor mediated signaling pathwayP06959:CCKR signaling map STP00002:Alpha adrenergic receptor signaling pathwayP04385:Histamine H1 receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
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-390696:Adrenoceptors
G alpha (q) signalling events
G alpha (12/13) signalling eventsR-HSA-390696:Adrenoceptors
G alpha (z) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (i) signalling eventsR-HSA-442660:Na+/Cl- dependent neurotransmitter transportersR-HSA-416476:G alpha (q) signalling eventsR-HSA-390696:Adrenoceptors
Surfactant metabolismR-HSA-390650:Histamine receptors
WikiPathways Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Platelet Aggregation (Plug Formation)
Integration of energy metabolism
GPCR ligand binding
GPCR downstream signalingWP727:Monoamine Transport
SIDS Susceptibility Pathways
NRF2 pathway
Synaptic Vesicle Pathway
Serotonin Transporter ActivityWP58:Monoamine GPCRs
Calcium Regulation in the Cardiac Cell
Gastrin-CREB signalling pathway via PKC and MAPK
Endothelin Pathways
GPCR downstream signaling
AMPK SignalingWP58:Monoamine GPCRs
GPCR downstream signalingWP58:Monoamine GPCRs
Nicotine Activity on Dopaminergic Neurons
GPCRs, OtherWP727:Monoamine Transport
Dopaminergic Neurogenesis
Parkinsons Disease Pathway
Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds
Neurotransmitter Clearance In The Synaptic CleftWP706:SIDS Susceptibility Pathways
Spinal Cord Injury
Peptide GPCRs
IL-4 Signaling Pathway
References
Ref 528772Bioorg Med Chem. 2007 Jun 1;15(11):3649-60. Epub 2007 Mar 21.Tricyclic isoxazolines: identification of R226161 as a potential new antidepressant that combines potent serotonin reuptake inhibition and alpha2-adrenoceptor antagonism.
Ref 528772Bioorg Med Chem. 2007 Jun 1;15(11):3649-60. Epub 2007 Mar 21.Tricyclic isoxazolines: identification of R226161 as a potential new antidepressant that combines potent serotonin reuptake inhibition and alpha2-adrenoceptor antagonism.

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