Drug Information

Drug General Information
Drug ID
D0Z5YO
Former ID
DNC013955
Drug Name
N-Benzyl-1H-indole-2-carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529768]
Structure
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2D MOL

3D MOL
Formula
C16H14N2O
Canonical SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3N2
InChI
1S/C16H14N2O/c19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-10,18H,11H2,(H,17,19)
InChIKey
AYMFXIQFBKQBGU-UHFFFAOYSA-N
PubChem Compound ID
8023988
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [529768]
Amine oxidase [flavin-containing] B Target Info Inhibitor [529768]
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 529768Bioorg Med Chem. 2008 Nov 15;16(22):9729-40. Epub 2008 Oct 2.Synthesis, structure-activity relationships and molecular modeling studies of new indole inhibitors of monoamine oxidases A and B.
Ref 529768Bioorg Med Chem. 2008 Nov 15;16(22):9729-40. Epub 2008 Oct 2.Synthesis, structure-activity relationships and molecular modeling studies of new indole inhibitors of monoamine oxidases A and B.

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