Drug General Information
Drug ID
D0R4PR
Former ID
DNC006141
Drug Name
7-acetonyloxy-3-acetylamino-8-methoxycoumarin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528005]
Structure
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2D MOL

3D MOL

Formula
C15H15NO6
Canonical SMILES
CC(=O)COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C)OC
InChI
1S/C15H15NO6/c1-8(17)7-21-12-5-4-10-6-11(16-9(2)18)15(19)22-13(10)14(12)20-3/h4-6H,7H2,1-3H3,(H,16,18)
InChIKey
BPSQKFACFYVPBO-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [528005]
BioCyc Pathway Superpathway of tryptophan utilization
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
Serotonin degradation
Superpathway of melatonin degradation
Melatonin degradation II
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
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathway
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 Activity
References
Ref 528005J Med Chem. 2006 Feb 9;49(3):1149-56.A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins.
Ref 528005J Med Chem. 2006 Feb 9;49(3):1149-56.A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins.

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