Drug Information

Drug General Information
Drug ID
D0C0OT
Former ID
DNC005893
Drug Name
1-(3,4-dihydroxy-2-nitrophenyl)-2-phenylethanone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527918]
Formula
C14H11NO5
Canonical SMILES
C1=CC=C(C=C1)CC(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-]
InChI
1S/C14H11NO5/c16-11-7-6-10(13(14(11)18)15(19)20)12(17)8-9-4-2-1-3-5-9/h1-7,16,18H,8H2
InChIKey
WQKGHRQZAOQUHW-UHFFFAOYSA-N
PubChem Compound ID
9900163
Target and Pathway
Target(s) Catechol-O-methyl-transferase Target Info Inhibitor [527918]
BioCyc Pathway L-dopa degradation
Dopamine degradation
Noradrenaline and adrenaline degradation
KEGG Pathway Steroid hormone biosynthesis
Tyrosine metabolism
Metabolic pathways
Dopaminergic synapse
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
Dopamine receptor mediated signaling pathway
PathWhiz Pathway Tyrosine Metabolism
WikiPathways Methylation Pathways
Metapathway biotransformation
Estrogen metabolism
Biogenic Amine Synthesis
Dopamine metabolism
Phase II conjugation
Neurotransmitter Clearance In The Synaptic Cleft
References
Ref 527918J Med Chem. 2005 Dec 15;48(25):8070-8.Synthesis and biological evaluation of a novel series of "ortho-nitrated" inhibitors of catechol-O-methyltransferase.
Ref 527918J Med Chem. 2005 Dec 15;48(25):8070-8.Synthesis and biological evaluation of a novel series of "ortho-nitrated" inhibitors of catechol-O-methyltransferase.

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