Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01AFH
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| Former ID |
DNC007257
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| Drug Name |
1-(3,4-dihydroxy-5-nitrophenyl)-2-phenoxyethanone
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C14H11NO6
|
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| Canonical SMILES |
C1=CC=C(C=C1)OCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
|
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| InChI |
1S/C14H11NO6/c16-12-7-9(6-11(14(12)18)15(19)20)13(17)8-21-10-4-2-1-3-5-10/h1-7,16,18H,8H2
|
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| InChIKey |
JFIYNCBDNTXFDN-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. 2004 Dec 2;47(25):6207-17.Synthesis, biological evaluation, and molecular modeling studies of a novel, peripherally selective inhibitor of catechol-O-methyltransferase. | ||||
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