Drug Information

Drug General Information
Drug ID
D00QCP
Former ID
DNC010974
Drug Name
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530946]
Structure
Download
2D MOL

3D MOL
Formula
C13H19NO2
Canonical SMILES
CC1C(OCC(N1)(C)C)(C2=CC=CC=C2)O
InChI
1S/C13H19NO2/c1-10-13(15,11-7-5-4-6-8-11)16-9-12(2,3)14-10/h4-8,10,14-15H,9H2,1-3H3/t10-,13+/m0/s1
InChIKey
NGHJSSNVKXEBAB-GXFFZTMASA-N
PubChem Compound ID
46837647
Target and Pathway
Target(s) Neuronal acetylcholine receptor protein, alpha-4 chain Target Info Inhibitor [530946]
Sodium-dependent dopamine transporter Target Info Inhibitor [530946]
Sodium-dependent noradrenaline transporter Target Info Inhibitor [530946]
Neuronal acetylcholine receptor protein, beta-4 chain Target Info Inhibitor [530946]
Neuronal acetylcholine receptor protein, beta-2 chain Target Info Inhibitor [530946]
KEGG Pathway Neuroactive ligand-receptor interaction
Cholinergic synapse
Nicotine addictionhsa04728:Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholismhsa04080:Neuroactive ligand-receptor interaction
Cholinergic synapsehsa04080:Neuroactive ligand-receptor interaction
Nicotine addiction
PANTHER Pathway Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathwayP00001:Adrenaline and noradrenaline biosynthesis
Parkinson disease
Dopamine receptor mediated signaling pathwayP00001:Adrenaline and noradrenaline biosynthesisP00044:Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathwayP00044:Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathway
Pathway Interaction Database Alpha-synuclein signaling
Reactome Highly sodium permeable acetylcholine nicotinic receptors
Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
Highly calcium permeable nicotinic acetylcholine receptorsR-HSA-442660:Na+/Cl- dependent neurotransmitter transportersR-HSA-442660:Na+/Cl- dependent neurotransmitter transportersR-HSA-629587:Highly sodium permeable acetylcholine nicotinic receptors
Highly calcium permeable nicotinic acetylcholine receptorsR-HSA-629587:Highly sodium permeable acetylcholine nicotinic receptors
Highly calcium permeable nicotinic acetylcholine receptors
WikiPathways SIDS Susceptibility Pathways
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Nicotine Activity on Dopaminergic NeuronsWP727: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 CleftWP727:Monoamine Transport
Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compoundsWP706:SIDS Susceptibility Pathways
Nicotine Activity on Chromaffin CellsWP706:SIDS Susceptibility Pathways
Nicotine Activity on Dopaminergic Neurons
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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