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]
Structure		Download 2D MOL 3D MOL
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 527918	J 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 527918	J 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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