OPICAPONE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N04BX04
UNII: Y5929UIJ5N

Structure
InChI Key ASOADIZOVZTJSR-UHFFFAOYSA-N
Smile Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10Cl2N4O6
Molecular Weight 413.17
AlogP 3.28
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 149.46
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Catechol O-methyltransferase inhibitor FDA
Primary Target
Catechol-O-methyltransferase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 1-10 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
CAS NUMBER 923287-50-7
ChEBI 134699
ChEMBL CHEMBL1089318
DrugBank DB11632
DrugCentral 5143
FDA SRS Y5929UIJ5N
Guide to Pharmacology 8988
PubChem 135565903
SureChEMBL SCHEMBL539065
ZINC ZINC000034602275
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