Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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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| Synonyms |
(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE; BIE; AC1OCAA0; SCHEMBL5898857; ICLKAUQIPVFHOI-UHFFFAOYSA-N; 3,4-dihydroxy-2-nitrobenzophenone; 4-benzoyl-3-nitrobenzene-1,2-diol; BIA-8-176; ZINC13677656; DB07462; (3,4-dihydroxy-2-nitrophenyl)phenylmethanone
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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 |
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 | 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 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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