Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01302)
Name
Opicapone
Synonyms    Click to Show/Hide the Synonyms of This API
Opicapone; 923287-50-7; ongentys; BIA 9-1067; CHEMBL1089318; 2,5-Dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide; (4Z)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one; SCHEMBL539065; GTPL8988; SCHEMBL17559532; SCHEMBL19205880; CHEBI:134699; BCP24268; BDBM50019329; BIA-91067; ZB1234; ZINC34602275; BIA-9-1067; DB11632; SB17488; compound 37d [PMID: 20334432]; NCGC00390666-01; HY-14896; A13110; Q27088208; BIA 9-1067; BIA 91067; BIA-91067; BIA91067; (4E)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one
Clinical Status
Approved
PubChem CID
135565903
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
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=135565903"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 413.2 Topological Polar Surface Area 151
XlogP 3.4 Complexity 557
Heavy Atom Count 27 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Full List of Drug Formulations (DFMs) Containing This API
          Opicapone 50 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Lactose; Magnesium Stearat; Pregelatinized Starch; Sodium Starch Glycolate; Fd&C Blue 2; Fd&C Red 3; Gelatin; Titanium Dioxide
                   Dosage Form Capsule
                   Company Neurocrine Biosciences
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [1]
Erythrosine sodium anhydrous DIG Info Multidrug resistance protein 3 (IC50 = 133000 nM) [2]
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Pregelatinized starch DIG Info Multidrug resistance protein 1 (Protein expression downregulation) [4]
          Opicapone 25 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Lactose; Magnesium Stearat; Pregelatinized Starch; Sodium Starch Glycolate; Fd&C Blue 2; Fd&C Red 2; Gelatin; Titanium Dioxide
                   Dosage Form Capsule
                   Company Neurocrine Biosciences
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [1]
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Pregelatinized starch DIG Info Multidrug resistance protein 1 (Protein expression downregulation) [4]
References
1 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
2 A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci. 2013 Nov; 136(1):216-41.
3 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
4 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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