Details of the Drug Formulation (DFM)

General Information of DFM (ID: F02697)
Name
Bosentan 32 mg tablet
Company
Actelion Pharmaceuticals US
Active Pharmaceutical Ingredient (API) Bosentan API Info click to show the detail info of this API
Pulmonary hypertension ICD-11: BB01 Approved
Drug Inactive Ingredient (DIGs)
DIG ID DIG Info DIG Name DIG Functional Class
E0TU6R DIG Info Acesulfame Flavoring agent
E0BI3X DIG Info Aspartame Flavoring agent
E0Q8ZK DIG Info Calcium hydrogenphosphate Diluent
E03SQI DIG Info Carmellose sodium Disintegrant
E01UTP DIG Info Magnesium stearate lubricant
E0LJ1H DIG Info Phenylalanine Solubilizing agent
E01UTV DIG Info Silicon dioxide Anticaking agent ...
E06RNC DIG Info Tartaric acid Acidulant ...
Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
      Oxidoreductase (ORase)
            DBT Name: Albendazole monooxygenase (CYP3A4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Magnesium stearate
                    Biological Activity Protein expression downregulation (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Calcium hydrogenphosphate
                    Biological Activity Protein expression downregulation (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
               Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Carmellose sodium
                    Biological Activity Protein expression upregulation (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
               Experiment (4) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Carmellose sodium
                    Biological Activity Protein expression upregulation (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
               Experiment (5) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Silicon dioxide
                    Biological Activity Protein expression downregulation (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
      Transferase (TFase)
            DBT Name: Inhibitor of apoptosis protein 3 (XIAP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Phenylalanine
                    Biological Activity IC50 = 80200 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID XIAP_HUMAN
      Hydrolase (HDase)
            DBT Name: Alkaline phosphatase ALPL (ALPL) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Phenylalanine
                    Biological Activity IC50 = 100100 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPBT_HUMAN
            DBT Name: Intestinal alkaline phosphatase (IAP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Phenylalanine
                    Biological Activity IC50 = 80200 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPBI_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Phenylalanine
                    Biological Activity IC50 = 80210 nM (tested by experiment) [5]
                    Tested Species Bos taurus (Bovine)
                    UniProt ID PPBI_BOVIN
            DBT Name: Matrix metalloproteinase-1 (MMP1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Aspartame
                    Biological Activity IC50 = 20000 nM (estimated based on the structural similarity with CHEMBL62186 ) [6]
                    Structural Similarity Tanimoto coefficient = 0.916666667
                    Tested Species Homo sapiens (Human)
                    UniProt ID MMP1_HUMAN
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Carbonic anhydrase II (CA2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Acesulfame
                    Biological Activity Ki > 20000 nM (tested by experiment) [7]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH2_HUMAN
            DBT Name: Carbonic anhydrase IX (CA9) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Acesulfame
                    Biological Activity Ki = 2400 nM (tested by experiment) [7]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH9_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Integral membrane E16 (SLC7A5) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Phenylalanine
                    Biological Activity IC50 = 69000 nM (tested by experiment) [8]
                    Tested Species Homo sapiens (Human)
                    UniProt ID LAT1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Phenylalanine
                    Biological Activity Ki = 55000 nM (tested by experiment) [9]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID LAT1_RAT
      Transmembrane channel/porin (TC/P)
            DBT Name: Calcium channel alpha-2/delta-1 (CA2D1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Phenylalanine
                    Biological Activity Ki = 977.24 nM (tested by experiment) [10]
                    Tested Species Mus musculus (Mouse)
                    UniProt ID CA2D1_MOUSE
      Nuclear receptor (NR)
            DBT Name: Pregnane X receptor (NR1I2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Aspartame
                    Biological Activity Ki = 13 uM (tested by experiment) [11]
                    Tested Species Homo sapiens (Human)
                    UniProt ID NR1I2_HUMAN
References
1 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
2 Exploration of carboxy pyrazole derivatives: Synthesis, alkaline phosphatase, nucleotide pyrophosphatase/phosphodiesterase and nucleoside triphosphate diphosphohydrolase inhibition studies with potential anticancer profile. Eur J Med Chem. 2018 Aug 5; 156:461-478.
3 Coumarin sulfonates: New alkaline phosphatase inhibitors; in vitro and in silico studies. Eur J Med Chem. 2017 May 5; 131:29-47.
4 2-Substituted 7-trifluoromethyl-thiadiazolopyrimidones as alkaline phosphatase inhibitors. Synthesis, structure activity relationship and molecular docking study. Eur J Med Chem. 2018 Jan 20; 144:116-127.
5 Synthesis, alkaline phosphatase inhibition studies and molecular docking of novel derivatives of 4-quinolones. Eur J Med Chem. 2017 Jan 27; 126:408-420.
6 Inhibition of Matrix Metalloproteinases: An examination of the S1 pocket. Bioorg Med Chem Lett. (1997) 7:193-198.
7 Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett. 2018 May 10; 9(7):657-661.
8 l-Type amino acid transporter 1 activity of 1,2,3-triazolyl analogs of l-histidine and l-tryptophan. Bioorg Med Chem Lett. 2019 Aug 15; 29(16):2254-2258.
9 Regiospecific and conformationally restrained analogs of melphalan and DL-2-NAM-7 and their affinities for the large neutral amino acid transporter (system LAT1) of the blood-brain barrier. Bioorg Med Chem Lett. 2010 Jun 15; 20(12):3688-91.
10 Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels. Bioorg Med Chem Lett. 2006 Mar 1; 16(5):1138-41.
11 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.

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