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

General Information of Drug (ID: DM4RZ9A)

Drug Name

BIA Drug Info

Synonyms

UNII-X6H65DT067; X6H65DT067; 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE; BIA-3-335; BIA-3-335 free base; 1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one; 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one; 1h1d; AC1N9ZVE; CHEMBL387347; DB03336; 747401-28-1; 1-Propanone, 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-

Indication

Disease Entry	ICD 11	Status	REF
Non-insulin dependent diabetes	5A11	Investigative	[1]

Cross-matching ID

PubChem CID: 4369285
CAS Number: CAS 747401-28-1
TTD Drug ID: DM4RZ9A

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	[1]
3,5-Dinitrocatechol	DMBGSHD	Discovery agent	N.A.	Investigative	[10]
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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	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
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	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.