Details of the Drug Formulation (DFM)

General Information of DFM (ID: F16002)
Name
Ondansetron 8 mg tablet
Company
GlaxoSmithKline; Novartis Pharmaceuticals Corporation; RemedyRepack
Active Pharmaceutical Ingredient (API) Ondansetron API Info click to show the detail info of this API
Gastritis ICD-11: DA42 Approved
Drug Inactive Ingredient (DIGs)
DIG ID DIG Info DIG Name DIG Functional Class
E0BI3X DIG Info Aspartame Flavoring agent
E0Q6DQ DIG Info Mannitol Diluent ...
E0X6QO DIG Info Propylparaben sodium Antimicrobial preservative
E01SSA DIG Info Sodium methylparaben Antimicrobial preservative
Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
      Hydrolase (HDase)
            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 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.916666667
                    Tested Species Homo sapiens (Human)
                    UniProt ID MMP1_HUMAN
      Transmembrane channel/porin (TC/P)
            DBT Name: Glycine receptor alpha-1 (GLRA1) 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 Mannitol
                    Biological Activity EC50 = 12589.25 nM (estimated based on the structural similarity with CHEMBL604608 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.804878049
                    Tested Species Homo sapiens (Human)
                    UniProt ID GLRA1_HUMAN
      Nuclear receptor (NR)
            DBT Name: Estrogen receptor alpha (ESR1) 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 Propylparaben sodium
                    Biological Activity EC50 = 38200 nM (estimated based on the structural similarity with CHEMBL15841 ) [3]
                    Structural Similarity Tanimoto coefficient = 0.946428571
                    Tested Species Homo sapiens (Human)
                    UniProt ID ESR1_HUMAN
            DBT Name: Estrogen receptor beta (ESR2) 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 Sodium methylparaben
                    Biological Activity EC50 = 1860 nM (estimated based on the structural similarity with CHEMBL15841 ) [3]
                    Structural Similarity Tanimoto coefficient = 0.919642857
                    Tested Species Homo sapiens (Human)
                    UniProt ID ESR2_HUMAN
            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) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID NR1I2_HUMAN
References
1 Inhibition of Matrix Metalloproteinases: An examination of the S1 pocket. Bioorg Med Chem Lett. (1997) 7:193-198.
2 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
3 Discovery of natural estrogen receptor modulators with structure-based virtual screening. Bioorg Med Chem Lett. 2013 Jun 1; 23(11):3329-33.
4 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.

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