Drug Information

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 [530946]
Structure
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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
46837650
Target and Pathway
Target(s) Sodium-dependent dopamine transporter Target Info Inhibitor [530946]
Neuronal acetylcholine receptor protein, alpha-4 chain Target Info Inhibitor [530946]
Neuronal acetylcholine receptor protein, beta-2 chain Target Info Inhibitor [530946]
Neuronal acetylcholine receptor protein, beta-4 chain Target Info Inhibitor [530946]
Sodium-dependent noradrenaline transporter Target Info Inhibitor [530946]
KEGG Pathway Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholismhsa04080:Neuroactive ligand-receptor interaction
Cholinergic synapse
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
Parkinson disease
Dopamine receptor mediated signaling pathwayP00044:Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathwayP00044:Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathwayP00001:Adrenaline and noradrenaline biosynthesis
Pathway Interaction Database Alpha-synuclein signaling
Reactome Na+/Cl- dependent neurotransmitter transportersR-HSA-629587:Highly sodium permeable acetylcholine nicotinic receptors
Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
Highly calcium permeable nicotinic acetylcholine receptorsR-HSA-629587:Highly sodium permeable acetylcholine nicotinic receptors
Highly calcium permeable nicotinic acetylcholine receptorsR-HSA-442660:Na+/Cl- dependent neurotransmitter transporters
WikiPathways Monoamine Transport
NRF2 pathway
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
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Nicotine Activity on Dopaminergic NeuronsWP706:SIDS Susceptibility Pathways
Nicotine Activity on Chromaffin CellsWP727:Monoamine Transport
References
Ref 530946J 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.
Ref 530946J 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.

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