Drug General Information
Drug ID
D0T1FJ
Former ID
DNC014138
Drug Name
4-(Aminomethyl)-7-(benzyloxy)-2H-chromen-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530434]
Structure
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2D MOL

3D MOL

Formula
C17H15NO3
Canonical SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CC(=O)O3)CN
InChI
1S/C17H15NO3/c18-10-13-8-17(19)21-16-9-14(6-7-15(13)16)20-11-12-4-2-1-3-5-12/h1-9H,10-11,18H2
InChIKey
XCWHFSADYQMGEA-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [530434]
Amine oxidase [flavin-containing] B Target Info Inhibitor [530434]
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 530434J Med Chem. 2009 Nov 12;52(21):6685-706.Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversible, and orally active monoamine oxidase B inhibitor.
Ref 530434J Med Chem. 2009 Nov 12;52(21):6685-706.Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversible, and orally active monoamine oxidase B inhibitor.

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