Drug General Information
Drug ID	D01PES
Former ID	DNC013960
Drug Name	N-(1H-Indol-2-ylmethyl)-N-phenylamine
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529768]
Structure		Download 2D MOL 3D MOL
Formula	C15H14N2
Canonical SMILES	C1=CC=C(C=C1)NCC2=CC3=CC=CC=C3N2
InChI	1S/C15H14N2/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h1-10,16-17H,11H2
InChIKey	SSQTZURIXXHEKY-UHFFFAOYSA-N
PubChem Compound ID	20037787
Target and Pathway
Target(s)	Amine oxidase [flavin-containing] B	Target Info	Inhibitor	[529768]
	Amine oxidase [flavin-containing] A	Target Info	Inhibitor	[529768]
BioCyc Pathway	Superpathway of tryptophan utilization
	Tryptophan degradation via tryptamine
	Dopamine degradation
	Putrescine degradation III
	Noradrenaline and adrenaline degradationPWY66-401:Superpathway of tryptophan utilization
	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
	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	Tryptophan metabolism
	Dopamine metabolism
	Phase 1 - Functionalization of compoundsWP706:SIDS Susceptibility Pathways
	Biogenic Amine Synthesis
	Oxidative Stress
	Phase 1 - Functionalization of compounds
	Neurotransmitter Release Cycle
	Neurotransmitter Clearance In The Synaptic Cleft
	Serotonin Transporter Activity
References
Ref 529768	Bioorg 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 529768	Bioorg 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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