General Information of DFM (ID: F01376)
Name	Aprepitant 40 mg capsule
Company	Glenmark Pharmaceutials
Active Pharmaceutical Ingredient (API)	Aprepitant		API Info click to show the detail info of this API
	Functional nausea/vomiting		ICD-11: DD90	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E0M0IE	DIG Info	Ferric hydroxide oxide yellow	Colorant
	E02FBG	DIG Info	Ferrosoferric oxide	Colorant
	E0Q6DQ	DIG Info	Mannitol	Diluent ...
	E0E7MW	DIG Info	Poloxamer 407	Emulsifying agent ...
	E0ND5Z	DIG Info	Potassium hydroxide	Alkalizing agent
	E01UTV	DIG Info	Silicon dioxide	Anticaking agent ...
	E0F9TP	DIG Info	Sodium lauryl sulfate	Emulsifying agent ...
	E0RS6F	DIG Info	Sodium stearyl fumarate	lubricant
	E05BSD	DIG Info	Titanium dioxide	Coating agent ...
	E01NLA	DIG Info	Tocophersolan	Antioxidant ...
	E0H2SC	DIG Info	Water	Solvent

Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
G-protein coupled receptor (GPCR)
DBT Name: Adenosine receptor A3 (AA3R)				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 lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AA3R_HUMAN
DBT Name: Muscarinic receptor M1 (ACM1)				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 lauryl sulfate
Biological Activity	IC50 = 29 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACM1_HUMAN
DBT Name: Serotonin receptor 1A (5HT1A)				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 lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT1A_HUMAN
DBT Name: Alpha-1A adrenoceptor (ADA1A)				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 lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ADA1A_HUMAN
DBT Name: Dopamine D3 receptor (DRD3)				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 lauryl sulfate
Biological Activity	IC50 = 18 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	DRD3_HUMAN
DBT Name: Thromboxane A2 receptor (TBXA2R)				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 lauryl sulfate
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	TA2R_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	Poloxamer 407
Biological Activity	EC50 = 32.8 uM (tested by experiment)					[2]
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	Silicon dioxide
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	Tocophersolan
Biological Activity	EC50 = 28.3 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN
Experiment (4) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Tocophersolan
Biological Activity	IC50 = 150 uM (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN
DBT Name: Cytochrome P450 2E1 (CYP2E1)				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	Poloxamer 407
Biological Activity	IC50 = 218.9 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2E1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Tocophersolan
Biological Activity	IC50 = 547.3 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2E1_HUMAN
DBT Name: Cytochrome P450 2C9 (CYP2C9)				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	Poloxamer 407
Biological Activity	EC50 = 355 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2C9_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Tocophersolan
Biological Activity	EC50 = 40.1 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2C9_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Tocophersolan
Biological Activity	IC50 = 300 uM (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2C9_HUMAN
DBT Name: Mephenytoin 4-hydroxylase (CYP2C19)				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	Tocophersolan
Biological Activity	EC50 = 114.8 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2CJ_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 (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Poloxamer 407
Biological Activity	EC50 = 101.6 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2D6_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Tocophersolan
Biological Activity	IC50 = 84 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2D6_HUMAN
DBT Name: Cytochrome P450 3A5 (CYP3A5)				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	Tocophersolan
Biological Activity	EC50 = 420.6 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A5_HUMAN
Hydrolase (HDase)
DBT Name: Soluble epoxide hydrolase (EPHX2)				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 lauryl sulfate
Biological Activity	IC50 = 5500 nM (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	HYES_HUMAN
DBT Name: Phosphodiesterase 4D (PDE4D)				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 lauryl sulfate
Biological Activity	IC50 = 23 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_HUMAN
Lyase/isomerase/ligase (L/I/G)
DBT Name: Cholesterol 25-hydroxylase (CYP1A2)				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	Tocophersolan
Biological Activity	EC50 = 208.8 uM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP1A2_HUMAN
Primary active transporter (PAT)
DBT Name: Multidrug resistance protein 1 (ABCB1)				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	Tocophersolan
Biological Activity	Inhibition ratio = 50 % (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Tocophersolan
Biological Activity	Inhibition ratio > 200 % (tested by experiment)					[7]
Tested Species	Homo sapiens (Human)
UniProt ID	MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN
Potential-driven transporter (PDT)
DBT Name: Solute carrier SLCO1B1 (OATP-C)				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 lauryl sulfate
Biological Activity	Ki = 2.9 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO1B1_HUMAN
DBT Name: Solute carrier SLCO2B1 (OATPB)				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	Sodium lauryl sulfate
Biological Activity	Inhibition ratio = 88.6 % (tested by experiment)					[8]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	Ki = 1.98 uM (tested by experiment)					[8]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	Ki = 2.8 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_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 )					[9]
Structural Similarity	Tanimoto coefficient = 0.804878049
Tested Species	Homo sapiens (Human)
UniProt ID	GLRA1_HUMAN
Nuclear receptor (NR)
DBT Name: Progesterone receptor (PGR)				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 lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PRGR_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 (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Poloxamer 407
Biological Activity	Inhibition ratio = 38 % (tested by experiment)					[10]
Tested Species	Homo sapiens (Human)
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Poloxamer 407
Biological Activity	Inhibition ratio > 45 % (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
DBT Name: Colon cancer HCT-116 cells (HCT-116)				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 lauryl sulfate
Biological Activity	IC50 > 100000 nM (tested by experiment)					[12]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0291
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 )					[13]
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 )					[13]
Structural Similarity	Tanimoto coefficient = 0.75
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0031
DBT Name: Leukemia RAW264.7 cells (RAW264.7)				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 lauryl sulfate
Biological Activity	IC50 > 100000 nM (tested by experiment)					[12]
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_0493

References
1	The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
2	Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
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	Effects of non-ionic surfactants on cytochrome P450-mediated metabolism in vitro. Eur J Pharm Biopharm. 2011 May;78(1):166-72.
5	Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain. J Med Chem. 2019 Sep 26; 62(18):8443-8460.
6	Vitamin E-TPGS increases absorption flux of an HIV protease inhibitor by enhancing its solubility and permeability. Pharm Res. 1999 Dec;16(12):1812-7.
7	Effect of excipients on breast cancer resistance protein substrate uptake activity. J Control Release. 2007 Dec 4;124(1-2):1-5.
8	Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
9	Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
10	Inhibition of human efflux transporter ABCC2 (MRP2) by self-emulsifying drug delivery system: influences of concentration and combination of excipients. J Pharm Pharm Sci. 2014;17(4):447-60.
11	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.
12	Synthesis of amphiphilic, chalcogen-based redox modulators with in vitro cytotoxic activity against cancer cells, macrophages and microbes. Med Chem Comm. (2014) 5:25-31.
13	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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