Details of the Biological Target of DIG (DBT)

General Information of DBT (ID: ET08VIR)
Name
Lung cancer A-549 cells (A-549)
Synonyms    Click to Show/Hide the Synonyms of This DBT
Human lung adenocarcinoma A-549 cells; A 549; A549; NCI-A549; A549/ATCC; A549 ATCC; A549ATCC; hA549
Family Cell line (CELL)  >>  Lung cell line (LUNcel)
Organism
Homo sapiens (Human)
Cellosaurus ID CVCL_0023 (click to find more cell line data of this DBT)
Full List of Drug Inactive Ingredients (DIGs) Regulating This DBT
          DIG Name: Calcium ascorbate anhydrous Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antioxidant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 > 100000 nM (estimated based on the structural similarity with CHEMBL196 ) [1]
                   Structural Similarity Tanimoto coefficient = 1
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: Diethyl phthalate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Plasticizing agent; Solvent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 38000 nM (estimated based on the structural similarity with CHEMBL4071043 ) [2]
                   Structural Similarity Tanimoto coefficient = 0.970588235
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: Docusate sodium Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 154000 nM (estimated based on the structural similarity with CHEMBL271677 ) [3]
                   Structural Similarity Tanimoto coefficient = 0.824561404
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: Ethyl vanillin Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Flavoring agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 16.42 ug.mL-1 (estimated based on the structural similarity with CHEMBL13883 ) [4]
                   Structural Similarity Tanimoto coefficient = 0.975806452
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: methylparaben Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 > 20 ug.mL-1 (tested by experiment) [5]
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: Palmitic acid Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Emulsifying agent; Penetration agent; lubricant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 150000 nM (tested by experiment) [6]
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: Sucrose stearate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Dispersing agent; Emulsifying agent; Modified-release agent; Solubilizing agent; Surfactant; lubricant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 0.63 ug.mL-1 (estimated based on the structural similarity with CHEMBL552345 ) [7]
                   Structural Similarity Tanimoto coefficient = 0.940298507
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: Metacresol Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 37000 nM (estimated based on the structural similarity with CHEMBL4470418 ) [8]
                   Structural Similarity Tanimoto coefficient = 0.941860465
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: Miripirium chloride Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 > 350000 nM (estimated based on the structural similarity with CHEMBL593699 ) [9]
                   Structural Similarity Tanimoto coefficient = 1
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
          DIG Name: Stearalkonium chloride Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 630 nM (estimated based on the structural similarity with CHEMBL2414246 ) [10]
                   Structural Similarity Tanimoto coefficient = 1
                   Tested Species Homo sapiens (Human)
                   Cellosaurus ID CVCL_0023
References
1 Antitumor and antiviral activities of 4-substituted 1,2,3-triazolyl-2,3-dibenzyl-L-ascorbic acid derivatives. Eur J Med Chem. 2019 Dec 15; 184:111739.
2 Novel bioactive molecules from Lentzea violacea strain AS 08 using one strain-many compounds (OSMAC) approach. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2579-2582.
3 New sulfurated derivatives of valproic acid with enhanced histone deacetylase inhibitory activity. Bioorg Med Chem Lett. 2008 Mar 15; 18(6):1893-7.
4 Influenza A (H(1)N(1)) Antiviral and Cytotoxic Agents from Ferula assa-foetida. J Nat Prod. 2009 Sep; 72(9):1568-72.
5 Bioactive Phenolic Components from the Twigs of Atalantia buxifolia. J Nat Prod. 2018 Jul 27; 81(7):1534-1539.
6 A comprehensive review of topoisomerase inhibitors as anticancer agents in the past decade. Eur J Med Chem. 2019 Jun 1; 171:129-168.
7 Total synthesis and anticancer activity of highly potent novel glycolipid derivatives. Eur J Med Chem. 2009 Aug; 44(8):3120-9.
8 Isolation and Characterization of Anaephenes A-C, Alkylphenols from a Filamentous Cyanobacterium ( Hormoscilla sp., Oscillatoriales). J Nat Prod. 2018 Dec 28; 81(12):2716-2721.
9 Synthesis, antifungal, haemolytic and cytotoxic activities of a series of bis(alkylpyridinium)alkanes. Bioorg Med Chem. 2009 Sep 1; 17(17):6329-39.
10 Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride. Eur J Med Chem. 2013 Aug; 66:46-55.

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