Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0HW3Y
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| Former ID |
DNC005895
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| Drug Name |
5,6-dihydroxy-7-nitro-2,3-dihydroinden-1-one
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| Synonyms |
5,6-dihydroxy-7-nitro-1-indanone; 383382-47-6; CHEMBL9039; SCHEMBL7432202; ULOQNEJBWLIGHK-UHFFFAOYSA-N; 5,6-Dihydroxy-7-nitro-indan-1-one
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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 |
C9H7NO5
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| Canonical SMILES |
C1CC(=O)C2=C(C(=C(C=C21)O)O)[N+](=O)[O-]
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| InChI |
1S/C9H7NO5/c11-5-2-1-4-3-6(12)9(13)8(7(4)5)10(14)15/h3,12-13H,1-2H2
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| InChIKey |
ULOQNEJBWLIGHK-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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