Drug General Information
Drug ID
D0T3ZS
Former ID
DNC010544
Drug Name
(+/-)-2-(4'-Benzyloxyphenyl)thiomorpholin-5-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530683]
Structure
Download
2D MOL

3D MOL

Formula
C17H17NO2S
Canonical SMILES
C1C(SCC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
1S/C17H17NO2S/c19-17-12-21-16(10-18-17)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,19)
InChIKey
WREDZZPMENXHRK-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Amine oxidase [flavin-containing] B Target Info Inhibitor [530683]
BioCyc Pathway Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
KEGG Pathway Glycine, serine and threonine metabolism
Arginine and proline metabolism
Histidine metabolism
Tyrosine metabolism
Phenylalanine metabolism
Tryptophan metabolism
Drug metabolism - cytochrome P450
Metabolic pathways
Serotonergic synapse
Dopaminergic synapse
Cocaine addiction
Amphetamine addiction
Alcoholism
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
WikiPathways Tryptophan metabolism
Dopamine metabolism
Phase 1 - Functionalization of compounds
References
Ref 530683Bioorg Med Chem. 2010 Feb 15;18(4):1388-95. Epub 2010 Jan 15.2-Arylthiomorpholine derivatives as potent and selective monoamine oxidase B inhibitors.
Ref 530683Bioorg Med Chem. 2010 Feb 15;18(4):1388-95. Epub 2010 Jan 15.2-Arylthiomorpholine derivatives as potent and selective monoamine oxidase B inhibitors.

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