Drug Information

Drug General Information
Drug ID
D09NNZ
Former ID
DNC011201
Drug Name
3,4-Dichloro-N-(2-methyl-1H-indol-5-yl)benzamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531067]
Structure
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2D MOL

3D MOL
Formula
C16H12Cl2N2O
Canonical SMILES
CC1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
1S/C16H12Cl2N2O/c1-9-6-11-7-12(3-5-15(11)19-9)20-16(21)10-2-4-13(17)14(18)8-10/h2-8,19H,1H3,(H,20,21)
InChIKey
ICMYUZJRKLEKDA-UHFFFAOYSA-N
PubChem Compound ID
46947643
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [531067]
Amine oxidase [flavin-containing] B Target Info Inhibitor [531067]
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 531067Eur J Med Chem. 2010 Oct;45(10):4458-66. Epub 2010 Jul 31.Inhibition of monoamine oxidase by indole and benzofuran derivatives.
Ref 531067Eur J Med Chem. 2010 Oct;45(10):4458-66. Epub 2010 Jul 31.Inhibition of monoamine oxidase by indole and benzofuran derivatives.

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