Drug General Information
Drug ID
D09FAD
Former ID
DNC009101
Drug Name
N-isobutyl-2-oxo-2H-chromene-3-carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530001]
Structure
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2D MOL

3D MOL

Formula
C14H15NO3
Canonical SMILES
CC(C)CNC(=O)C1=CC2=CC=CC=C2OC1=O
InChI
1S/C14H15NO3/c1-9(2)8-15-13(16)11-7-10-5-3-4-6-12(10)18-14(11)17/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKey
BKVFDOZWDVAMFZ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Amine oxidase [flavin-containing] B Target Info Inhibitor [530001]
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 530001J Med Chem. 2009 Apr 9;52(7):1935-42.Synthesis, molecular modeling, and selective inhibitory activity against human monoamine oxidases of 3-carboxamido-7-substituted coumarins.
Ref 530001J Med Chem. 2009 Apr 9;52(7):1935-42.Synthesis, molecular modeling, and selective inhibitory activity against human monoamine oxidases of 3-carboxamido-7-substituted coumarins.

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