| Drug General Information |
| Drug ID |
D03YQY
|
| Former ID |
DNC010973
|
| Drug Name |
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C14H21NO2
|
| Canonical SMILES |
CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)C)O
|
| InChI |
1S/C14H21NO2/c1-10-6-5-7-12(8-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
|
| InChIKey |
RLZACOPBIXSOEX-SMDDNHRTSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Sodium-dependent dopamine transporter |
Target Info |
Inhibitor |
[1]
|
|---|
| Neuronal acetylcholine receptor protein, alpha-4 chain |
Target Info |
Inhibitor |
[1]
|
| Neuronal acetylcholine receptor protein, beta-2 chain |
Target Info |
Inhibitor |
[1]
|
| Neuronal acetylcholine receptor protein, beta-4 chain |
Target Info |
Inhibitor |
[1]
|
| Sodium-dependent noradrenaline transporter |
Target Info |
Inhibitor |
[1]
|
|
KEGG Pathway
|
Dopaminergic synapse
|
|
Parkinson's disease
|
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Cocaine addiction
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Amphetamine addiction
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Alcoholismhsa04080:Neuroactive ligand-receptor interaction
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Cholinergic synapse
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Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
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PANTHER Pathway
|
Adrenaline and noradrenaline biosynthesis
|
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Parkinson disease
|
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Dopamine receptor mediated signaling pathwayP00044:Nicotinic acetylcholine receptor signaling pathway
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Nicotine pharmacodynamics pathwayP00044:Nicotinic acetylcholine receptor signaling pathway
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Nicotine pharmacodynamics pathwayP00001:Adrenaline and noradrenaline biosynthesis
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Pathway Interaction Database
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Alpha-synuclein signaling
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Reactome
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Na+/Cl- dependent neurotransmitter transportersR-HSA-629587:Highly sodium permeable acetylcholine nicotinic receptors
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Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
|
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Highly calcium permeable nicotinic acetylcholine receptorsR-HSA-629587:Highly sodium permeable acetylcholine nicotinic receptors
|
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Highly calcium permeable nicotinic acetylcholine receptorsR-HSA-442660:Na+/Cl- dependent neurotransmitter transporters
|
|
WikiPathways
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Monoamine Transport
|
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NRF2 pathway
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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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Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
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Nicotine Activity on Dopaminergic NeuronsWP706:SIDS Susceptibility Pathways
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Nicotine Activity on Chromaffin CellsWP727:Monoamine Transport
|
| References |
| REF 1 | J Med Chem. 2010 Jun 24;53(12):4731-48.Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation. |
|---|
