Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01014)
Name
Doravirine
Synonyms    Click to Show/Hide the Synonyms of This API
Doravirine; 1338225-97-0; MK-1439; Pifeltro; MK1439; UNII-913P6LK81M; 3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile; Doravirine (MK-1439); 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile; 913P6LK81M; 3-Chloro-5-({1-[(4-Methyl-5-Oxo-4,5-Dihydro-1h-1,2,4-Triazol-3-Yl)methyl]-2-Oxo-4-(Trifluoromethyl)-1,2-Dihydropyridin-3-Yl}oxy)benzonitrile; Doravirine [USAN:INN]; 4ncg; Pifeltro (TN); MK 1439; Doravirine, MK-1439; Doravirine; MK-1439; MK-1439(Doravirine); C17H11ClF3N5O3; Doravirine (JAN/USAN/INN); SCHEMBL2509885; CHEMBL2364608; DTXSID30158386; AMY16781; BCP02296; EX-A1968; BDBM50508293; MFCD22417167; s6492; ZINC72317283; AKOS030528603; CS-5924; DB12301; SB17104; HY-16767; DB-091410; D10624; Q6885419; S900006160; 2KW; 3-chloro-5-[[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-3-pyridyl]oxy]benzonitrile; Benzonitrile, 3-chloro-5-((1-((4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl)-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)-
Clinical Status
Approved
PubChem CID
58460047
Formula
C17H11ClF3N5O3
Canonical SMILES
CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F
InChI
1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
InChIKey
ZIAOVIPSKUPPQW-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=58460047"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 425.7 Topological Polar Surface Area 98
XlogP 2.1 Complexity 860
Heavy Atom Count 29 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Full List of Drug Formulations (DFMs) Containing This API
          Doravirine 100 mg tablet 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
Colloidal Silicon Dioxide; Croscarmellose Sodium; Hypromellose Acetate Succinate; Lactose Monohydrate; Magnesium Stearate; Microcrystalline Cellulose; Hypromellose; Lactose Monohydrate; Titanium Dioxide; Triacetin; Carnauba Wax
                   Dosage Form Tablet
                   Company Merck Sharp & Dohme Corp.
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hypromellose DIG Info Cytochrome P450 3A5 (IC50 = 19.4 uM) [1]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [2]
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 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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