Details of the Drug Formulation (DFM)

General Information of DFM (ID: F14248)
Name
Mirtazapine 30 mg tablet
Company
Watson Laboratories
Active Pharmaceutical Ingredient (API) Mirtazapine API Info click to show the detail info of this API
Major depressive disorder ICD-11: 6A70 Approved
Drug Inactive Ingredient (DIGs)
DIG ID DIG Info DIG Name DIG Functional Class
E0XB9Z DIG Info Acetaldehyde Flavoring agent
E0LT2O DIG Info Alpha-tocopherol Antimicrobial preservative ...
E0BI3X DIG Info Aspartame Flavoring agent
E0BT1Y DIG Info Caryophyllene Flavoring agent
E0PE9M DIG Info Crospovidone Disintegrant
E0NN4I DIG Info Dextrin Binding agent ...
E09KDO DIG Info Dimethyl benzyl carbinyl acetate Adsorbent ...
E01ZRI DIG Info Ethyl butyrate Flavoring agent
E01UTP DIG Info Magnesium stearate lubricant
E0Q6DQ DIG Info Mannitol Diluent ...
E01UTV DIG Info Silicon dioxide Anticaking agent ...
E0RS6F DIG Info Sodium stearyl fumarate lubricant
E0V5AX DIG Info Xylitol Coating agent ...
Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
      G-protein coupled receptor (GPCR)
            DBT Name: Cannabinoid CB2 receptor (CNR2) 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 Caryophyllene
                    Biological Activity Ki = 150 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CNR2_HUMAN
            DBT Name: Free fatty acid receptor 3 (FFAR3) 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 butyrate
                    Biological Activity EC50 = 10100 nM (estimated based on the structural similarity with CHEMBL62381 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.807692308
                    Tested Species Homo sapiens (Human)
                    UniProt ID FFAR3_HUMAN
      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) [3]
                    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 Crospovidone
                    Biological Activity Protein expression downregulation (tested by experiment) [3]
                    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 Silicon dioxide
                    Biological Activity Protein expression downregulation (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
      Transferase (TFase)
            DBT Name: Glutathione S-transferase P (GSTP1) 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 Alpha-tocopherol
                    Biological Activity IC50 = 500 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID GSTP1_HUMAN
      Hydrolase (HDase)
            DBT Name: Histone deacetylase (HDAC) 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 butyrate
                    Biological Activity IC50 = 140000 nM (estimated based on the structural similarity with CHEMBL62381 ) [5]
                    Structural Similarity Tanimoto coefficient = 0.807692308
                    Tested Species Homo sapiens (Human)
                    UniProt ID HDAC1_HUMAN ; HDAC2_HUMAN ; HDAC3_HUMAN ; HDAC4_HUMAN ; HDAC5_HUMAN ; HDAC6_HUMAN ; HDAC7_HUMAN ; HDAC8_HUMAN ; HDAC9_HUMAN
            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
      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 ) [7]
                    Structural Similarity Tanimoto coefficient = 0.804878049
                    Tested Species Homo sapiens (Human)
                    UniProt ID GLRA1_HUMAN
      Nuclear receptor (NR)
            DBT Name: PPAR-alpha (PPARA) 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 Dimethyl benzyl carbinyl acetate
                    Biological Activity EC50 = 13000 nM (estimated based on the structural similarity with CHEMBL1257776 ) [8]
                    Structural Similarity Tanimoto coefficient = 0.850574713
                    Tested Species Mus musculus (Mouse)
                    UniProt ID PPARA_MOUSE
            DBT Name: PPAR-delta (PPARD) 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 Dimethyl benzyl carbinyl acetate
                    Biological Activity EC50 = 16000 nM (estimated based on the structural similarity with CHEMBL1257776 ) [8]
                    Structural Similarity Tanimoto coefficient = 0.850574713
                    Tested Species Mus musculus (Mouse)
                    UniProt ID PPARD_MOUSE
            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) [9]
                    Tested Species Homo sapiens (Human)
                    UniProt ID NR1I2_HUMAN
      Cell line (CELL)
            DBT Name: Colon cancer Caco-2 cells (Caco-2) 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 Dextrin
                    Biological Activity Inhibition ratio > 55 % (tested by experiment) [10]
                    Tested Species Homo sapiens (Human)
            DBT Name: Leukemia K562 cells (K562) 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 stearyl fumarate
                    Biological Activity IC50 = 20.2 ug.mL-1 (estimated based on the structural similarity with CHEMBL3126829 ) [11]
                    Structural Similarity Tanimoto coefficient = 0.75
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0004
            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 Sodium stearyl fumarate
                    Biological Activity IC50 = 60 ug.mL-1 (estimated based on the structural similarity with CHEMBL3126829 ) [11]
                    Structural Similarity Tanimoto coefficient = 0.75
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0031
References
1 Medicinal properties of terpenes found in Cannabis sativa and Humulus lupulus. Eur J Med Chem. 2018 Sep 5; 157:198-228.
2 Design and Synthesis of 2-Alkylpyrimidine-4,6-diol and 6-Alkylpyridine-2,4-diol as Potent GPR84 Agonists. ACS Med Chem Lett. 2016 Mar 30; 7(6):579-83.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
4 Reviewing Hit Discovery Literature for Difficult Targets: Glutathione Transferase Omega-1 as an Example. J Med Chem. 2018 Sep 13; 61(17):7448-7470.
5 Histone deacetylase inhibitors. J Med Chem. 2003 Nov 20; 46(24):5097-116.
6 Inhibition of Matrix Metalloproteinases: An examination of the S1 pocket. Bioorg Med Chem Lett. (1997) 7:193-198.
7 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
8 A stereo-controlled synthesis of 2,4-dimethyl-4-hydroxy-16-phenylhexadecanoic acid 1,4-lactone and its PPAR activities. Bioorg Med Chem Lett. 2010 Oct 15; 20(20):6017-9.
9 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
10 Interactions between human multidrug resistance related protein (MRP2; ABCC2) and excipients commonly used in self-emulsifying drug delivery systems (SEDDS). Int J Pharm. 2013 Apr 15;447(1-2):192-8.
11 Synthesis and evaluation of (-)-Massoialactone and analogues as potential anticancer and anti-inflammatory agents. Eur J Med Chem. 2014 Apr 9; 76:291-300.

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