Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00989)
Name
Darolutamide
Synonyms    Click to Show/Hide the Synonyms of This API
Darolutamide; ODM-201; 1297538-32-9; BAY-1841788; BAY1841788; ODM201; N-((S)-1-(3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide; BAY 1841788; ODM-201;BAY-1841788; 1H-Pyrazole-3-carboxamide, N-[(1S)-2-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]-1-methylethyl]-5-(1-hydroxyethyl)-; N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-propan-2-yl)-3-(1-hydroxyethyl)-1H-pyrazole-5-carboxamide; N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide; Darolutamide (ODM-201); Nubeqa; UNII-X05U0N2RCO; X05U0N2RCO; 1H-Pyrazole-3-carboxamide, N-((1S)-2-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-1-methylethyl)-5-(1-hydroxyethyl)-; Nebeqa (TN); Darolutamide [USAN]; ODM-201(Darolutamide); Darolutamide (JAN/USAN/INN); SCHEMBL1814935; CHEMBL4297185; SCHEMBL13733117; GTPL10439; EX-A759; BDBM309979; example 56 [US9657003]; MFCD29472270; NSC825331; AKOS030526387; CCG-268640; CS-5174; DB12941; NSC-825331; SB18882; NCGC00484078-01; AC-32628; AS-75032; BAY-1841788); HY-16985; S7559; J3.501.129C; D11045; US9657003, 56; J-690121; Q25091391; 1-[(2S)-2-Butanyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-car boxamide; N-((2S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-((1RS)-1-hydroxyethyl)-1H-pyrazole-3-carboxamide; N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol -1-yl)propan-2-yl)-3-(1-hydroxyethyl)-1H-pyrazole-5-carboxamide; N-((S)-1-(3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(1-hydroxy-ethyl)-1H-pyrazole-3-carboxamide; N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide
Clinical Status
Approved
PubChem CID
67171867
Formula
C19H19ClN6O2
Canonical SMILES
C[C@@H](CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O
InChI
1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1
InChIKey
BLIJXOOIHRSQRB-PXYINDEMSA-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=67171867"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 398.8 Topological Polar Surface Area 120
XlogP 1.8 Complexity 598
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Darolutamide 300 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
Calcium Hydrogen Phosphate; Croscarmellose Sodium; Lactose Monohydrate; Magnesium Stearate; Povidone K 30; Hypromellose 15 Cp; Macrogol 3350; Titanium Dioxide
                   Dosage Form Tablet
                   Company Bayer Healthcare Pharmaceuticals
                   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]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [1]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Calcium hydrogenphosphate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [2]
Polyethylene glycol 3350 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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