Drug Information

Drug General Information
Drug ID
D0S5KN
Former ID
DNC000820
Drug Name
Isopsoralen
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535106]
Structure
Download
2D MOL

3D MOL
Formula
C11H6O3
Canonical SMILES
C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3
InChI
1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
InChIKey
XDROKJSWHURZGO-UHFFFAOYSA-N
PubChem Compound ID
10658
PubChem Substance ID
11252, 474744, 906407, 5431451, 8157698, 14717697, 15171425, 24890472, 29229128, 48201986, 49759962, 49971731, 50764077, 53787425, 57326370, 57389038, 76715686, 81093330, 85174297, 90453137, 92234807, 103238743, 104323903, 117587177, 123110660, 124524901, 125352095, 126562821, 126677677, 129674058, 131317290, 132564007, 134339728, 134340138, 134977795, 137008662, 142432010, 162187543, 162220209, 162547815, 163410157, 163614306, 163643920, 165299549, 172089135, 172880200, 179316412, 184546839, 186014621, 198954101
ChEBI ID
ChEBI:28928
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [535106]
Amine oxidase [flavin-containing] B Target Info Inhibitor [535106]
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 535106Inhibition of rat brain monoamine oxidase activities by psoralen and isopsoralen: implications for the treatment of affective disorders. Pharmacol Toxicol. 2001 Feb;88(2):75-80.
Ref 535106Inhibition of rat brain monoamine oxidase activities by psoralen and isopsoralen: implications for the treatment of affective disorders. Pharmacol Toxicol. 2001 Feb;88(2):75-80.

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