General Information of DFM (ID: F06606)
Name	Dolutegravir 25 mg tablet
Company	ViiV Healthcare Company
Active Pharmaceutical Ingredient (API)	Dolutegravir		API Info click to show the detail info of this API
	Human immunodeficiency virus infection		ICD-11: 1C60	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E0M0IE	DIG Info	Ferric hydroxide oxide yellow	Colorant
	E0Q6DQ	DIG Info	Mannitol	Diluent ...
	E0V3ER	DIG Info	Polyvinyl alcohol	Coating agent ...
	E0RS6F	DIG Info	Sodium stearyl fumarate	lubricant
	E0QY1F	DIG Info	Talc	Anticaking agent ...
	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: Cytochrome P450 2E1 (CYP2E1)				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	Polyvinyl alcohol
Biological Activity	IC50 = 548.9 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2E1_HUMAN
DBT Name: Debrisoquine 4-hydroxylase (CYP2D6)				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	Polyvinyl alcohol
Biological Activity	EC50 = 354.8 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2D6_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
Cell line (CELL)
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 )					[3]
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 )					[3]
Structural Similarity	Tanimoto coefficient = 0.75
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0031

References
1	Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2	Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
3	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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