Drug General Information
Drug ID
D04DCW
Former ID
DNC010312
Drug Name
(+/-)-2-(4-fluorophenyl)-7-methylchroman-4-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL

Formula
C16H13FO2
Canonical SMILES
CC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=C(C=C3)F
InChI
1S/C16H13FO2/c1-10-2-7-13-14(18)9-15(19-16(13)8-10)11-3-5-12(17)6-4-11/h2-8,15H,9H2,1H3
InChIKey
ZWJDAELXCJQOJQ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Amine oxidase [flavin-containing] B Target Info Inhibitor [1]
BioCyc Pathway Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
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
Alcoholism
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
WikiPathways Tryptophan metabolism
Dopamine metabolism
Phase 1 - Functionalization of compounds
References
REF 1Bioorg Med Chem. 2010 Feb;18(3):1273-9. Epub 2010 Jan 4.A new series of flavones, thioflavones, and flavanones as selective monoamine oxidase-B inhibitors.

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