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

General Information of Drug (ID: DM1BKA6)

• Drug Name: Opicapone Drug Info
• Synonyms: BIA-9-1067

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Approved	[1]

• Cross-matching ID:
  PubChem CID: 135565903
  ChEBI ID: CHEBI:134699
  CAS Number: CAS 923287-50-7
  TTD Drug ID: DM1BKA6
  ACDINA Drug ID: D01302

Molecule-Related Drug Atlas

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	[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]
3,5-Dinitrocatechol	DMBGSHD	Discovery agent	N.A.	Investigative	[11]
1-(3,4-dihydroxy-2-nitrophenyl)-2-phenylethanone	DM9M5D1	Discovery agent	N.A.	Investigative	[12]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
UDP-glucuronosyltransferase 1A1	OTH1C8OJ	UD11_HUMAN	Gene/Protein Processing	[2]
UDP-glucuronosyltransferase 1A10	OTOTZVEY	UD110_HUMAN	Gene/Protein Processing	[2]
UDP-glucuronosyltransferase 1A7	OTY4JJ32	UD17_HUMAN	Gene/Protein Processing	[2]
UDP-glucuronosyltransferase 1A8	OTTMABBG	UD18_HUMAN	Gene/Protein Processing	[2]
UDP-glucuronosyltransferase 1A9	OTPCHAFX	UD19_HUMAN	Gene/Protein Processing	[2]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [2] In vitro effects of opicapone on activity of human UDP-glucuronosyltransferases isoforms. Toxicol Lett. 2022 Aug 15;367:3-8. doi: 10.1016/j.toxlet.2022.07.003. Epub 2022 Jul 8.
• [3] Entacapone: a catechol-O-methyltransferase inhibitor for the adjunctive treatment of Parkinson's disease. Clin Ther. 2001 Jun;23(6):802-32; discussion 771.
• [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] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [12] 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.