Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1089318

OPICAPONE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089318
Name OPICAPONE
Phase Approved
Structure Type MOL
InChI Key ASOADIZOVZTJSR-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

BIA 9-1067 BIA-9-1067 BIA-91067 Ongentys Ontilyv Opicapona Opicapone
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
7
Known Names
1
Indications
1
Mechanisms

Molecular Properties

413.2
MW (Da)
3.28
ALogP
8
HBA
2
HBD
149.5
PSA (Ų)
0.17
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2016
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -capone
USAN Year 2018

Extended Properties

Molecular Formula C15H10Cl2N4O6
MW 413.17
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.74

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Catechol O-methyltransferase inhibitor INHIBITOR Catechol O-methyltransferase ✓ ✓

Indications

Parkinson Disease

ATC Classification

N04BX04
opicapone
Level 1: NERVOUS SYSTEM
Level 2: ANTI-PARKINSON DRUGS

Activity Summary

Ki 6 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Catechol O-methyltransferase
CHEMBL2023
 Ki 9.0 8.5 1.0 2
Catechol O-methyltransferase
CHEMBL2372
 Ki 8.82 8.31 1.5 2
Catechol O-methyltransferase
CHEMBL3286068
 Ki 8.82 8.31 1.5 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Catechol O-methyltransferase Ki = 1.0 nM 9.0 Inhibition of catalytic activity of human cloned COMT expressed in Escherichia c... 24847974
Catechol O-methyltransferase Ki = 1.5 nM 8.82 Inhibition of catalytic activity of mouse COMT expressed in Escherichia coli usi... 24847974
Catechol O-methyltransferase Ki = 1.5 nM 8.82 Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using... 24847974
Catechol O-methyltransferase Ki = 10.0 nM 8.0 Inhibition of catalytic activity of human cloned COMT expressed in Escherichia c... 24847974
Catechol O-methyltransferase Ki = 15.85 nM 7.8 Inhibition of catalytic activity of mouse COMT expressed in Escherichia coli usi... 24847974
Catechol O-methyltransferase Ki = 15.85 nM 7.8 Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using... 24847974

Literature References

PubMed DOI Target Context # Activities
20334432 10.1021/jm1001524 Rattus norvegicus 13
24847974 10.1021/jm500475k Catechol O-methyltransferase 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
20334432 10.1021/jm1001524 NON-PROTEIN TARGET 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine