Drug Information

Drug General Information
Drug ID
D01LUB
Former ID
DNC009629
Drug Name
4,8-Dimethyl-7-(2'-oxocyclohexyloxy)coumarin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529735]
Structure
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2D MOL

3D MOL
Formula
C17H18O4
Canonical SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C)OC3CCCCC3=O
InChI
1S/C17H18O4/c1-10-9-16(19)21-17-11(2)14(8-7-12(10)17)20-15-6-4-3-5-13(15)18/h7-9,15H,3-6H2,1-2H3
InChIKey
WRTZCCCOMNOONZ-UHFFFAOYSA-N
PubChem Compound ID
4297278
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [529735]
Amine oxidase [flavin-containing] B Target Info Inhibitor [529735]
BioCyc Pathway Superpathway of tryptophan utilization
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
Serotonin degradation
Superpathway of melatonin degradation
Melatonin degradation IIPWY66-401:Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
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
Alcoholismhsa00260:Glycine, serine and threonine metabolism
Alcoholism
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathwayP00001:Adrenaline and noradrenaline biosynthesis
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
PathWhiz Pathway Histidine Metabolism
Tyrosine Metabolism
Glycine and Serine Metabolism
Reactome Norepinephrine Neurotransmitter Release Cycle
WikiPathways SIDS Susceptibility Pathways
Biogenic Amine Synthesis
Oxidative Stress
Dopamine metabolism
Phase 1 - Functionalization of compounds
Neurotransmitter Release Cycle
Neurotransmitter Clearance In The Synaptic Cleft
Serotonin Transporter ActivityWP465:Tryptophan metabolism
References
Ref 529735J Med Chem. 2008 Nov 13;51(21):6740-51. Epub 2008 Oct 4.Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
Ref 529735J Med Chem. 2008 Nov 13;51(21):6740-51. Epub 2008 Oct 4.Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

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