Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01046)
Name
Encorafenib
Synonyms    Click to Show/Hide the Synonyms of This API
Encorafenib; LGX818; 1269440-17-6; LGX-818; Encorafenib (LGX818); Braftovi; UNII-8L7891MRB6; LGX 818; 8L7891MRB6; Carbamic acid, N-[(1S)-2-[[4-[3-[5-chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-, methyl ester; (S)-methyl (1-((4-(3-(5-chloro-2-fluoro-3-(methylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate.; Encorafenib [USAN:INN]; Braftovi (TN); LGX-818(Encorafenib); NVP-LGX818-NXA; NVP-LGX-818-NXA; NVP-LGX818; Encorafenib (JAN/USAN/INN); GTPL7908; SCHEMBL8228295; CHEMBL3301612; DTXSID00155347; BDBM221688; BCP08458; EX-A1587; methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate; MFCD25976758; NSC778304; NSC800093; s7108; ZINC68249103; CCG-269960; DB11718; NSC-778304; NSC-800093; SB16926; NCGC00378599-03; AC-30230; AS-35201; HY-15605; A13226; D11053; US9314464, 9; Q15409405; Methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate
Clinical Status
Approved
PubChem CID
50922675
Formula
C22H27ClFN7O4S
Canonical SMILES
C[C@@H](CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C)NC(=O)OC
InChI
1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
InChIKey
CMJCXYNUCSMDBY-ZDUSSCGKSA-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=50922675"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 540 Topological Polar Surface Area 149
XlogP 2.7 Complexity 836
Heavy Atom Count 36 Rotatable Bond Count 10
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10
Full List of Drug Formulations (DFMs) Containing This API
          Encorafenib 75 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
Copovidone; Poloxamer 188; Microcrystalline Cellulose; Succinic Acid; Crospovidone; Colloidal Silicon Dioxide; Magnesium Stearate (Vegetable Origin); Gelatin; Titanium Dioxide; Iron Oxide Red; Iron Oxide Yellow; Ferrosoferric Oxide; Pharmaceutical Glaze; Ferrosoferric Oxide; Propylene Glycol
                   Dosage Form Capsule
                   Company Array Biopharma
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Succinic acid DIG Info HIF-prolyl hydroxylase 2 (IC50 = 3000 nM) [1]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [2]
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [3]
Poloxamer 188 DIG Info Albendazole monooxygenase (IC50 = 60 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
References
1 Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases. J Med Chem. 2008 Nov 27; 51(22):7053-6.
2 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
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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