Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5385)
Drug Name
Opicapone
Synonyms BIA-9-1067
Indication Parkinsonism [ICD11: 8A00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 413.2 Topological Polar Surface Area 151
Heavy Atom Count 27 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
135565903
ChEBI ID
CHEBI:134699
CAS Number
923287-50-7
TTD Drug ID
D01SGK
Formula
C15H10Cl2N4O6
Canonical SMILES
CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]
InChI
InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
InChIKey
ASOADIZOVZTJSR-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
BIA 9-1079 DM017121 N. A. Reduction - Reduction 1 [3]
BIA 9-1100 DM016662
136218652
Oxidation - Methylation 1 [3]
BIA 9-1101 DM016663
136238581
Multi-steps Reaction - Methylation; reduction 1 [3]
BIA 9-1103 DM016849
157010655
Conjugation - Sulfation 1 [3]
BIA 9-1104 DM017126 N. A. Oxidation - Methylation 1 [3]
BIA 9-1106 DM017125 N. A. Conjugation - Glucuronidation 1 [3]
BIA 9-1101 DM016663
136238581
Unclear 2 [2]
BIA 9-1101 DM016663
136238581
Oxidation - 3\O\methylation 2 [2]
Opicapone metabolite M41 DM017122 N. A. Unclear 2 [2]
BIA 9-3721 DM016248
66920538
Unclear 3 [2]
Opicapone metabolite M4 DM017123 N. A. Unclear 3 [2]
BIA 9-3752 DM017124 N. A. Unclear 4 [2]
⏷ Show the Full List of 12  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013696 Opicapone BIA 9-1079 Reduction - Reduction Unclear [3]
MR013702 Opicapone BIA 9-1106 Conjugation - Glucuronidation UGT1A1 ... [3]
MR013704 Opicapone BIA 9-1103 Conjugation - Sulfation SULT1A2 ... [3]
MR013705 Opicapone BIA 9-1104 Oxidation - Methylation Unclear [3]
MR013706 Opicapone BIA 9-1100 Oxidation - Methylation Unclear [3]
MR013707 Opicapone BIA 9-1101 Multi-steps Reaction - Methylation; reduction Unclear [3]
MR013697 BIA 9-1079 Opicapone metabolite M41 Unclear Unclear [2]
MR013701 BIA 9-1079 BIA 9-1101 Oxidation - 3\O\methylation Unclear [2]
MR013703 BIA 9-1106 BIA 9-1101 Unclear Unclear [2]
MR013698 Opicapone metabolite M41 Opicapone metabolite M4 Unclear Unclear [2]
MR013700 Opicapone metabolite M41 BIA 9-3721 Unclear Unclear [2]
MR013699 Opicapone metabolite M4 BIA 9-3752 Unclear Unclear [2]
⏷ Show the Full List of 12 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Sulfotransferase 1A2 (SULT1A2) DME0062 Homo sapiens
ST1A2_HUMAN
2.8.2.1
[2]
Sulfotransferase 1A3 (SULT1A3) DME0063 Homo sapiens
ST1A3_HUMAN
2.8.2.1
[2]
Sulfotransferase 1B1 (SULT1B1) DME0380 Homo sapiens
ST1B1_HUMAN
2.8.2.1
[2]
Sulfotransferase 1E1 (SULT1E1) DME0061 Homo sapiens
ST1E1_HUMAN
2.8.2.4
[2]
Sulfotransferase 2A1 (SULT2A1) DME0074 Homo sapiens
ST2A1_HUMAN
2.8.2.14
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A10 (UGT1A10) DME0075 Homo sapiens
UD110_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Homo sapiens
UD16_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B15 (UGT2B15) DME0049 Homo sapiens
UDB15_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
⏷ Show the Full List of 14  DME(s)
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
2 Metabolism and disposition of opicapone in the rat and metabolic enzymes phenotyping
3 Pharmacokinetics, pharmacodynamics and tolerability of opicapone, a novel catechol-O-methyltransferase inhibitor, in healthy subjects: prediction of slow enzyme-inhibitor complex dissociation of a short-living and very long-acting inhibitor

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