Drug General Information |
Drug ID |
D0PN9R
|
Former ID |
DNC007402
|
Drug Name |
R-226161
|
Drug Type |
Small molecular drug
|
Indication |
Discovery agent
|
Investigative |
[1]
|
Structure |
|
Download
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
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PubChem Compound ID |
|
Target and Pathway |
Target(s) |
Alpha-2C adrenergic receptor |
Target Info |
Inhibitor |
[1]
|
Sodium-dependent serotonin transporter |
Target Info |
Inhibitor |
[1]
|
Alpha-1A adrenergic receptor |
Target Info |
Inhibitor |
[1]
|
Alpha-2B adrenergic receptor |
Target Info |
Inhibitor |
[1]
|
D(3) dopamine receptor |
Target Info |
Inhibitor |
[1]
|
Sodium-dependent dopamine transporter |
Target Info |
Inhibitor |
[1]
|
Substance-P receptor |
Target Info |
Inhibitor |
[1]
|
Alpha-2A adrenergic receptor |
Target Info |
Inhibitor |
[1]
|
Histamine H1 receptor |
Target Info |
Inhibitor |
[1]
|
KEGG Pathway
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cGMP-PKG signaling pathway
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Neuroactive ligand-receptor interactionhsa04726:Serotonergic synapsehsa04020:Calcium signaling pathway
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Neuroactive ligand-receptor interaction
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AMPK signaling pathway
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Adrenergic signaling in cardiomyocytes
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Vascular smooth muscle contraction
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Salivary secretionhsa04022:cGMP-PKG signaling pathway
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Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
|
Dopaminergic synapsehsa04728:Dopaminergic synapse
|
Parkinson's disease
|
Cocaine addiction
|
Amphetamine addiction
|
Alcoholismhsa04020:Calcium signaling pathway
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Measleshsa04022:cGMP-PKG signaling pathway
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Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
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Inflammatory mediator regulation of TRP channels
|
NetPath Pathway
|
TCR Signaling Pathway
|
PANTHER Pathway
|
Alpha adrenergic receptor signaling pathway
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Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathwayP04373:5HT1 type receptor mediated signaling pathway
|
5HT2 type receptor mediated signaling pathway
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5HT3 type receptor mediated signaling pathway
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5HT4 type receptor mediated signaling pathwayP00002:Alpha adrenergic receptor signaling pathwayP00002:Alpha adrenergic receptor signaling pathway
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Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathwayP00001:Adrenaline and noradrenaline biosynthesis
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Parkinson disease
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Dopamine receptor mediated signaling pathwayP06959:CCKR signaling map STP00002:Alpha adrenergic receptor signaling pathwayP04385:Histamine H1 receptor mediated signaling pathway
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Pathway Interaction Database
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Alpha-synuclein signaling
|
Reactome
|
Adrenoceptors
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Adrenaline signalling through Alpha-2 adrenergic receptor
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Adrenaline,noradrenaline inhibits insulin secretion
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G alpha (i) signalling events
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G alpha (z) signalling events
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Surfactant metabolismR-HSA-390696:Adrenoceptors
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G alpha (q) signalling events
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G alpha (12/13) signalling eventsR-HSA-390696:Adrenoceptors
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G alpha (z) signalling eventsR-HSA-390651:Dopamine receptors
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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
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Monoamine GPCRs
|
GPCRs, Class A Rhodopsin-like
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Platelet Aggregation (Plug Formation)
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Integration of energy metabolism
|
GPCR ligand binding
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GPCR downstream signalingWP727:Monoamine Transport
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SIDS Susceptibility Pathways
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NRF2 pathway
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Synaptic Vesicle Pathway
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Serotonin Transporter ActivityWP58:Monoamine GPCRs
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Calcium Regulation in the Cardiac Cell
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Gastrin-CREB signalling pathway via PKC and MAPK
|
Endothelin Pathways
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GPCR downstream signaling
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AMPK SignalingWP58:Monoamine GPCRs
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GPCR downstream signalingWP58:Monoamine GPCRs
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Nicotine Activity on Dopaminergic Neurons
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GPCRs, OtherWP727:Monoamine Transport
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Dopaminergic Neurogenesis
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Parkinsons Disease Pathway
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Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds
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Neurotransmitter Clearance In The Synaptic CleftWP706:SIDS Susceptibility Pathways
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Spinal Cord Injury
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Peptide GPCRs
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IL-4 Signaling Pathway
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References |
REF 1 | Bioorg 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. |