Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMBGSHD)

Drug Name

3,5-Dinitrocatechol Drug Info

Synonyms

3,5-dinitrocatechol; 3,5-dinitrobenzene-1,2-diol; 7659-29-2; 3,5-Dinitro-1,2-benzenediol; OR-486; 3,5-Dinitropyrocatechol; OR486; UNII-VK0VA22GY2; Pyrocatechol, 3,5-dinitro-; 1,2-Benzenediol, 3,5-dinitro-; BRN 2217246; VK0VA22GY2; 3,5-DINITROCATECHOL (OR-486); CHEMBL168276; 3,5-DINITRO-BENZENE-1,2-DIOL; DNC; SR-01000075610; OR 486; Ro 12812; Ro 01-2812; Tocris-0483; Spectrum_000187; Lopac-D-131; AC1MZC4M; Spectrum4_000747; Spectrum2_001109; Spectrum5_001163; Entacapone EP Impurity E; 3,5-Dinitrocatechol, solid; Lopac0_000477

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 3870203
CAS Number: CAS 7659-29-2
TTD Drug ID: DMBGSHD

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Discontinued Drug(s)

Preclinical Drug(s)

Investigative Drug(s)

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Drug(s) Targeting Catechol-O-methyl-transferase (COMT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Entacapone	DMLBVKQ	Parkinson disease	8A00.0	Approved	[2]
Opicapone	DM1BKA6	Parkinson disease	8A00.0	Approved	[3]
Tolcapone	DM8MNVO	Parkinson disease	8A00.0	Approved	[4]
BIA 3-202	DMG3ON2	Parkinson disease	8A00.0	Phase 2	[5]
CGP-28014	DMYNTQV	Major depressive disorder	6A70.3	Phase 2	[6]
Nitecapone	DMSJYEX	Pain	MG30-MG3Z	Discontinued in Phase 2	[7]
PGX-200097	DM1A2UI	Schizophrenia	6A20	Preclinical	[8]
1-(3,4-dihydroxy-5-nitrophenyl)-2-phenoxyethanone	DMKI719	Discovery agent	N.A.	Investigative	[9]
7,8-dihydroxy-4-phenyl-2H-chromen-2-one	DMUB5E8	Discovery agent	N.A.	Investigative	[10]
1-(3,4-dihydroxy-2-nitrophenyl)-2-phenylethanone	DM9M5D1	Discovery agent	N.A.	Investigative	[11]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Catechol-O-methyl-transferase (COMT)	TTKWFB8	COMT_HUMAN	Inhibitor	[1]

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References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	Entacapone: a catechol-O-methyltransferase inhibitor for the adjunctive treatment of Parkinson's disease. Clin Ther. 2001 Jun;23(6):802-32; discussion 771.
3	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
4	Catechol-O-methyltransferase inhibitors in the management of Parkinson's disease. Semin Neurol. 2001;21(1):15-22.
5	Chemical synthesis and characterization of conjugates of a novel catechol-O-methyltransferase inhibitor. Bioconjug Chem. 2002 Sep-Oct;13(5):1112-8.
6	CGP 28014, a new inhibitor of cerebral catechol-O-methylation with a non-catechol structure. Naunyn Schmiedebergs Arch Pharmacol. 1990 Sep;342(3):305-11.
7	Effect of a novel catechol-O-methyltransferase inhibitor, nitecapone, on the metabolism of L-dopa in healthy volunteers. Clin Neuropharmacol. 1990 Oct;13(5):436-47.
8	Schizophrenia, "just the facts" 5. Treatment and prevention. Past, present, and future. Schizophr Res. 2010 Sep;122(1-3):1-23.
9	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.
10	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
11	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.