Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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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| Synonyms |
CHEMBL197115; 1-(3,4-dihydroxy-2-nitrophenyl)-2-phenylethanone; SCHEMBL7431618
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| 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 | Top | |||
|---|---|---|---|---|
| Target(s) | Catechol-O-methyl-transferase (COMT) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and biological evaluation of a novel series of "ortho-nitrated" inhibitors of catechol-O-methyltransferase. J Med Chem. 2005 Dec 15;48(25):8070-8. | |||
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