General Information of DFM (ID: F14017)
Name
Metyrapone 250 mg capsule
Company
HRA Pharma
Active Pharmaceutical Ingredient (API) Metyrapone API Info click to show the detail info of this API
Cushing syndrome ICD-11: 5A70 Approved
Drug Inactive Ingredient (DIGs)
DIG ID DIG Info DIG Name DIG Functional Class
E01EBV DIG Info Ethyl vanillin Flavoring agent
E06WYP DIG Info Glycerin Antimicrobial preservative ...
E0X6QO DIG Info Propylparaben sodium Antimicrobial preservative
E05BSD DIG Info Titanium dioxide Coating agent ...
Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
      Oxidoreductase (ORase)
            DBT Name: Aldehyde dehydrogenase 5A1 (ALDH5A1) 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 Ethyl vanillin
                    Biological Activity IC50 = 15600 nM (estimated based on the structural similarity with CHEMBL13883 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.975806452
                    Tested Species Homo sapiens (Human)
                    UniProt ID SSDH_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 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.946428571
                    Tested Species Homo sapiens (Human)
                    UniProt ID ESR1_HUMAN
      Cell line (CELL)
            DBT Name: Lung cancer A-549 cells (A-549) 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 Ethyl vanillin
                    Biological Activity IC50 = 16.42 ug.mL-1 (estimated based on the structural similarity with CHEMBL13883 ) [3]
                    Structural Similarity Tanimoto coefficient = 0.975806452
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0023
            DBT Name: Breast cancer MCF7 cells (MCF7) 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 Ethyl vanillin
                    Biological Activity IC50 = 15.69 ug.mL-1 (estimated based on the structural similarity with CHEMBL13883 ) [3]
                    Structural Similarity Tanimoto coefficient = 0.975806452
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0031
References
1 Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. Bioorg Med Chem Lett. 2006 Feb; 16(3):592-5.
2 Discovery of natural estrogen receptor modulators with structure-based virtual screening. Bioorg Med Chem Lett. 2013 Jun 1; 23(11):3329-33.
3 Influenza A (H(1)N(1)) Antiviral and Cytotoxic Agents from Ferula assa-foetida. J Nat Prod. 2009 Sep; 72(9):1568-72.

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