Drug Information
Drug General Information | Top | |||
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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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Synonyms |
CHEMBL374904; SCHEMBL7251537
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | 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 | Top | |||
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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 | |||
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REF 1 | Synthesis, biological evaluation, and molecular modeling studies of a novel, peripherally selective inhibitor of catechol-O-methyltransferase. J Med Chem. 2004 Dec 2;47(25):6207-17. |
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