Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01051)
Name
Enzalutamide
Synonyms    Click to Show/Hide the Synonyms of This API
Enzalutamide; 915087-33-1; MDV3100; MDV-3100; 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-N-methylbenzamide; Enzalutamide (MDV3100); MDV 3100; XTANDI; MDV3100 (Enzalutamide); UNII-93T0T9GKNU; MDV3100 Enzalutamide; 93T0T9GKNU; CHEBI:68534; 4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide; 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide; 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide; 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide; Enzalutamide [USAN:INN]; Enzalutamid; Xtandi (TN); 1443331-82-5; PubChem19320; Tube704; Enzalutamide; MDV3100; Enzalutamide (JAN/USAN); MDV3100, AldrichCPR; cc-412; MLS006010067; SCHEMBL189749; GTPL6812; C21H16F4N4O2S; CHEMBL1082407; DTXSID10912307; EX-A046; QCR-130; BCPP000169; HMS3654L07; HMS3672M13; HMS3744C19; NC-54; AMY10296; AOB87731; ASP-9785; BCP02361; MDV3100/MDV-3100; ABP000459; ANW-54164; BBL102957; BDBM50425732; MFCD14155804; NSC755605; NSC766085; s1250; STL556766; ZINC34806477; AKOS015851022; MDV-3100;Enzalutamide;MDV 3100; ACN-026804; BCP9000901; CCG-264879; CS-0317; DB08899; NSC-755605; NSC-766085; SB20413; NCGC00263120-01; 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]-2-fluoro-N-methyl-benzamide; AC-26924; AK-72825; AS-17047; Benzamide,4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methyl-; HY-70002; MDV3100, 95%; SMR004701227; AB0008149; FT-0670957; SW219288-1; W9480; A25302; D10218; S-3847; AB01565849_02; SR-01000941580; J-519668; Q1996756; SR-01000941580-1; BRD-K56851771-001-01-9; Benzamide, 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl)-2-fluoro-N-methyl-
Clinical Status
Approved
PubChem CID
15951529
Formula
C21H16F4N4O2S
Canonical SMILES
CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
InChI
1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
InChIKey
WXCXUHSOUPDCQV-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=15951529"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 464.4 Topological Polar Surface Area 109
XlogP 3.6 Complexity 839
Heavy Atom Count 32 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Full List of Drug Formulations (DFMs) Containing This API
          Enzalutamide 40mg 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
Hypromellose Acetate Succinate; Microcrystalline Cellulose; Colloidal Silicon Dioxide; Croscarmellose Sodium; Magnesium Stearate; Hypromellose; Talc; Polyethylene Glycol; Titanium Dioxide; Ferric Oxide
                   Dosage Form Tablet
                   Company Astellas
                   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]
Polyethylene glycol 4000 DIG Info Albendazole monooxygenase (Inhibition ratio < 40 %) [3]
          Enzalutamide 80mg 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
Hypromellose Acetate Succinate; Microcrystalline Cellulose; Colloidal Silicon Dioxide; Croscarmellose Sodium; Magnesium Stearate; Hypromellose; Talc; Polyethylene Glycol; Titanium Dioxide; Ferric Oxide
                   Dosage Form Tablet
                   Company Astellas
                   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]
Polyethylene glycol 4000 DIG Info Albendazole monooxygenase (Inhibition ratio < 40 %) [3]
          Enzalutamide 40mg 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
Caprylocaproyl Polyoxylglycerides; Butylated Hydroxyanisole; Butylated Hydroxytoluene; Gelatin; Sorbitol Sorbitan Solution; Glycerin; Purified Water; Titanium Dioxide; Black Iron Oxide
                   Dosage Form Capsule
                   Company Astellas
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Butylated hydroxytoluene DIG Info Carbonic anhydrase II (Ki = 630 nM) [4]
Butylhydroxyanisole DIG Info Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) [5]
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [1]
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.
3 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
4 Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols. Bioorg Med Chem. 2009 Apr 15; 17(8):3207-11.
5 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.