Drug Information

Drug General Information
Drug ID
D0P4GF
Former ID
DNC009624
Drug Name
3,4-Benzo-7-(beta-bromoallyloxy)-8-methylcoumarin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529735]
Structure
Download
2D MOL

3D MOL
Formula
C17H13BrO3
Canonical SMILES
CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=C)Br
InChI
1S/C17H13BrO3/c1-10(18)9-20-15-8-7-13-12-5-3-4-6-14(12)17(19)21-16(13)11(15)2/h3-8H,1,9H2,2H3
InChIKey
GGTNLZBSSNHXRY-UHFFFAOYSA-N
PubChem Compound ID
25139469
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [529735]
Amine oxidase [flavin-containing] B Target Info Inhibitor [529735]
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 529735J Med Chem. 2008 Nov 13;51(21):6740-51. Epub 2008 Oct 4.Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
Ref 529735J Med Chem. 2008 Nov 13;51(21):6740-51. Epub 2008 Oct 4.Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.