Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00004)
Name
Abiraterone
Synonyms    Click to Show/Hide the Synonyms of This API
Abiraterone; 154229-19-3; (3beta)-17-(3-pyridinyl)-androsta-5,16-dien-3-ol; CB 7598; CB-7598; 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol; Abiraterone (CB-7598); CB7598; UNII-G819A456D0; (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol; CHEMBL254328; CHEBI:68642; 154229-19-3 (Abiraterone); MFCD00924100; (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol; G819A456D0; Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3b)-; 17-(pyridin-3-yl)androsta-5,16-dien-3beta-ol; C24H31NO; (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.; Abiraterone [INN:BAN]; PubChem20542; Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-; Abiraterone/CB-7598; (3-beta)-17-(3-Pyridinyl)-androsta-5,16-dien-3-ol; Abiraterone - CB-7598; CB 7630 [as acetate]; SCHEMBL61108; cc-239; MLS006010235; GTPL6745; BDBM25458; DTXSID80879993; EX-A106; QCR-150; ZINC3797541; Abiraterone(CB-7598)/CB7598; ABP000222; ANW-58538; NSC749226; AKOS005146525; AB07690; AM84498; CS-0156; DB05812; ES-0045; NSC-749226; AC-25764; HY-70013; SMR002530050; AB0031795; 17-(3-Pyridyl)androsta-5.16-dien-3beta-ol; A24884; S-7705; 17-(3-Pyridyl)androsta-5,16-dien-3.beta.-ol; AB01274738-01; AB01274738_02; 229A193; Q321431; SR-01000941584; (3b)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol; J-519524; SR-01000941584-1; BRD-K50071428-001-01-7; BRD-K50071428-001-03-3; CB-7598;17-(3-Pyridyl)androsta-5,16-dien-3beta-ol; (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-ol
Clinical Status
Approved
Disease Indication Prostate cancer ICD-11: 2C82 [1]
PubChem CID
132971
Formula
C24H31NO
Canonical SMILES
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O
InChI
1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
InChIKey
GZOSMCIZMLWJML-VJLLXTKPSA-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=132971"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 349.5 Topological Polar Surface Area 33.1
XlogP 4.6 Complexity 636
Heavy Atom Count 26 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Full List of Drug Formulations (DFMs) Containing This API
          Abiraterone 250 mg tablet Click to Show/Hide the Full List of Formulation(s):          2 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 monohydrate; Sodium lauryl sulfate; Magnesium stearate; Ferric oxide red; Ferric oxide yellow; Talc; Titanium dioxide; Water; Croscarmellose sodium; Polyethylene glycol 3350; Povidone k30; Silicon dioxide; Microcrystalline cellulose; Polyvinyl alcohol, unspecified
                   Dosage Form Oral Tablet
                   Company Janssen Biotech
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
Polyethylene glycol 3350 DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
             Drug Formulation 2 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 monohydrate; Sodium lauryl sulfate; Magnesium stearate; Croscarmellose sodium; Silicon dioxide; Microcrystalline cellulose; Povidone, unspecified
                   Dosage Form Oral Tablet
                   Company Janssen Biotech
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
          Abiraterone 500 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
Lactose monohydrate; Sodium lauryl sulfate; Magnesium stearate; Ferric oxide red; Ferrosoferric oxide; Talc; Titanium dioxide; Water; Croscarmellose sodium; Polyethylene glycol 3350; Silicon dioxide; Hypromellose 2910 (15 mpa.s); Microcrystalline cellulose; Polyvinyl alcohol, unspecified
                   Dosage Form Oral Tablet
                   Company Janssen Biotech
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
Polyethylene glycol 3350 DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved abiraterone from the official website of the U.S. Food and Drug Administration.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
3 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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