Drug Information

Drug General Information
Drug ID
D0C9WW
Former ID
DNC007834
Drug Name
7-(3-chlorobenzyloxy)-4-carboxaldehyde-coumarin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529080]
Structure
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2D MOL

3D MOL
Formula
C17H11ClO4
Canonical SMILES
C1=CC(=CC(=C1)Cl)COC2=CC3=C(C=C2)C(=CC(=O)O3)C=O
InChI
1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2
InChIKey
ZOCADHRNWNJARU-UHFFFAOYSA-N
PubChem Compound ID
16750123
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [529080]
Amine oxidase [flavin-containing] B Target Info Inhibitor [529080]
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 529080J Med Chem. 2007 Nov 15;50(23):5848-52. Epub 2007 Oct 4.Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.
Ref 529080J Med Chem. 2007 Nov 15;50(23):5848-52. Epub 2007 Oct 4.Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.

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