U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H10Cl2N4O6
Molecular Weight 413.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OPICAPONE

SMILES

CC1=C(C2=NOC(=N2)C3=CC(O)=C(O)C(=C3)[N+]([O-])=O)C(Cl)=[N+]([O-])C(C)=C1Cl

InChI

InChIKey=ASOADIZOVZTJSR-UHFFFAOYSA-N
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

HIDE SMILES / InChI
Molecular Formula C15H10Cl2N4O6
Molecular Weight 413.169
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:38:40 UTC 2023
Edited
by admin
on Fri Dec 15 20:38:40 UTC 2023
Record UNII
Y5929UIJ5N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OPICAPONE
INN   WHO-DD  
INN  
Official Name English
5-(3-(2,5-DICHLORO-4,6-DIMETHYL-1-OXY-PYRIDIN-3-YL)-(1,2,4)OXADIAZOL-5-YL)-3-NITROBENZENE-1,2-DIOL
Systematic Name English
BIA 9-1067
Code English
OPICAPONE [JAN]
Common Name English
OPICAPONE [MI]
Common Name English
OPICAPONE [USAN]
Common Name English
1,2-BENZENEDIOL, 5-(3-(2,5-DICHLORO-4,6-DIMETHYL-1-OXIDO-3-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL)-3-NITRO-
Systematic Name English
BIA-9-1067
Code English
ONGENTYS
Brand Name English
opicapone [INN]
Common Name English
2,5-DICHLORO-3-(5-(3,4-DIHYDROXY-5-NITROPHENYL)-1,2,4-OXADIAZOL-3-YL)-4,6-DIMETHYLPYRIDINE N-OXIDE
Systematic Name English
BIA-91067
Code English
Opicapone [WHO-DD]
Common Name English
OPICAPONE [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
WHO-ATC N04BX04
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
Code System Code Type Description
PUBCHEM
135565903
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
INN
9268
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
FDA UNII
Y5929UIJ5N
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
MESH
C549349
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
USAN
FG-121
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
SMS_ID
100000156709
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
RXCUI
2362167
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
WIKIPEDIA
Opicapone
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
MERCK INDEX
m11976
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
CAS
923287-50-7
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
DAILYMED
Y5929UIJ5N
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID601026417
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
EVMPD
SUB130629
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
DRUG CENTRAL
5143
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
DRUG BANK
DB11632
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
NCI_THESAURUS
C170258
Created by admin on Fri Dec 15 20:38:41 UTC 2023 , Edited by admin on Fri Dec 15 20:38:41 UTC 2023
PRIMARY
Related Record Type Details
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
independent of concentration
BINDING
Structure of OPICAPONE
EXCRETED UNCHANGED
After administration of a single dose of radiolabeled opicapone 100 mg (2 times the recommended dosage) to healthy subjects
FECAL
OATP-B
TRANSPORTER -> SUBSTRATE
OAT-3
TRANSPORTER -> INHIBITOR
IC50
MRP-2
TRANSPORTER -> SUBSTRATE
Structure of OPICAPONE
EXCRETED UNCHANGED
After administration of a single dose of radiolabeled opicapone 100 mg (2 times the recommended dosage) to healthy subjects
URINE
OATP-8
TRANSPORTER -> SUBSTRATE
OATP-8
TRANSPORTER -> INHIBITOR
IC50
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> SUBSTRATE
OAT-1
TRANSPORTER -> INHIBITOR
IC50
CATECHOL O-METHYLTRANSFERASE
TARGET -> INHIBITOR
Opicapone is a selective and reversible inhibitor of catechol-O-methyltransferase (COMT).
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
OATP1B1
TRANSPORTER -> INHIBITOR
IC50
Related Record Type Details
Structure of DES N-OXIDE OPICAPONE METABOLITE
METABOLITE ACTIVE -> PARENT
MINOR
PLASMA
Structure of OPICAPONE SULFATE METABOLITE
METABOLITE INACTIVE -> PARENT
MAJOR
PLASMA
Related Record Type Details
Structure of OPICAPONE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC SINGLE DOSE ADMINISTRATION

Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC FED CONDITION

MODERATE FAT/MODERATE CALORIE MEAL

NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966