Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0C0OT
|
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| Former ID |
DNC005893
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| Drug Name |
1-(3,4-dihydroxy-2-nitrophenyl)-2-phenylethanone
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C14H11NO5
|
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| Canonical SMILES |
C1=CC=C(C=C1)CC(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-]
|
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| 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
|
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| InChIKey |
WQKGHRQZAOQUHW-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Catechol-O-methyl-transferase | Target Info | Inhibitor | [1] | |
| 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 1 | 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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