Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0OE1R
|
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| Former ID |
DNC003476
|
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| Drug Name |
(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H9NO5
|
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| Canonical SMILES |
C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-]
|
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| InChI |
1S/C13H9NO5/c15-10-7-6-9(11(13(10)17)14(18)19)12(16)8-4-2-1-3-5-8/h1-7,15,17H
|
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| InChIKey |
ICLKAUQIPVFHOI-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| PubChem Substance 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 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | ||||
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