General Information of DFM (ID: F15862)
Name	Omeprazole 20 mg capsule
Company	Rite Aid; Topco Associates
Active Pharmaceutical Ingredient (API)	Omeprazole		API Info click to show the detail info of this API
	Gastro-oesophageal reflux disease		ICD-11: DA22	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E0NY1O	DIG Info	Benzyl alcohol	Antimicrobial preservative ...
	E04XXD	DIG Info	Hydroxyethylamine	Alkalizing agent ...
	E00DHW	DIG Info	Lactose monohydrate	Binding agent ...
	E09ZXG	DIG Info	Menthol	Flavoring agent
	E09IPB	DIG Info	Polyethylene glycol 3350	Coating agent ...
	E0F9TP	DIG Info	Sodium lauryl sulfate	Emulsifying agent ...
	E0E8TN	DIG Info	Sodium stearate	Emulsifying agent ...
	E0RS6F	DIG Info	Sodium stearyl fumarate	lubricant
	E04KTP	DIG Info	Sucralose	Flavoring agent
	E0QY1F	DIG Info	Talc	Anticaking agent ...
	E05BSD	DIG Info	Titanium dioxide	Coating agent ...
	E0T2AJ	DIG Info	Triacetin	Humectant ...
	E0K0OU	DIG Info	Triethyl citrate	Plasticizing agent ...

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: Free fatty acid receptor 1 (FFAR1)				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 stearate
Biological Activity	EC50 = 20892.96 nM (estimated based on the structural similarity with CHEMBL4281719 )					[2]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	FFAR1_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	Sodium stearate
Biological Activity	EC50 = 100000 nM (estimated based on the structural similarity with CHEMBL3925414 )					[3]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Rattus norvegicus (Rat)
UniProt ID	FFAR3_RAT
DBT Name: Free fatty acid receptor 4 (FFAR4)				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 stearate
Biological Activity	EC50 = 1698.24 nM (estimated based on the structural similarity with CHEMBL4281719 )					[2]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	FFAR4_HUMAN
DBT Name: GPCR84 receptor (GPR84)				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 stearate
Biological Activity	EC50 = 1700 nM (estimated based on the structural similarity with CHEMBL107874 )					[4]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	GPR84_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: Indoleamine 2,3-dioxygenase 1 (IDO1)				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	Benzyl alcohol
Biological Activity	IC50 = 1400 nM (estimated based on the structural similarity with CHEMBL3763371 )					[5]
Structural Similarity	Tanimoto coefficient = 0.848101266
Tested Species	Homo sapiens (Human)
UniProt ID	I23O1_HUMAN
DBT Name: Prostaglandin G/H synthase 1 (COX-1)				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 stearate
Biological Activity	IC50 > 500000 nM (estimated based on the structural similarity with CHEMBL460025 )					[6]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Bos taurus (Bovine)
UniProt ID	PGH1_BOVIN
DBT Name: Prostaglandin G/H synthase 2 (COX-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	Sodium stearate
Biological Activity	IC50 > 500000 nM (estimated based on the structural similarity with CHEMBL460025 )					[6]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Ovis aries (Sheep)
UniProt ID	PGH2_SHEEP
DBT Name: Albendazole monooxygenase (CYP3A4)				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	Polyethylene glycol 3350
Biological Activity	Protein expression upregulation (tested by experiment)					[7]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN
Hydrolase (HDase)
DBT Name: Vaccinia H1 phosphatase (VHR)				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 stearate
Biological Activity	IC50 > 100000 nM (estimated based on the structural similarity with CHEMBL1917282 )					[8]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	DUS3_HUMAN
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)					[9]
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: Carbonic anhydrase II (CA2)				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	Sucralose
Biological Activity	Ki = 300 nM (tested by experiment)					[10]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
DBT Name: Carbonic anhydrase IX (CA9)				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	Sucralose
Biological Activity	Ki = 2200 nM (tested by experiment)					[10]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH9_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 for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Polyethylene glycol 3350
Biological Activity	Protein expression downregulation (tested by experiment)					[7]
Tested Species	Homo sapiens (Human)
UniProt ID	MDR1_HUMAN
Potential-driven transporter (PDT)
DBT Name: Organic anion transporter 6 (OAT6)				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 stearate
Biological Activity	Ki = 8128.31 nM (estimated based on the structural similarity with CHEMBL320358 )					[11]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Mus musculus (Mouse)
UniProt ID	S22AK_MOUSE
DBT Name: Organic anion transporter 1 (OAT1)				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 stearate
Biological Activity	Ki = 33884.42 nM (estimated based on the structural similarity with CHEMBL1162491 )					[11]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Mus musculus (Mouse)
UniProt ID	S22A6_MOUSE
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)					[12]
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)					[12]
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: Lipid transfer protein I (CETP)				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	Hydroxyethylamine
Biological Activity	IC50 = 600 nM (estimated based on the structural similarity with CHEMBL3330297 )					[13]
Structural Similarity	Tanimoto coefficient = 0.774193548
Tested Species	Homo sapiens (Human)
UniProt ID	CETP_HUMAN
DBT Name: Wasabi receptor (TRPA1)				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	Menthol
Biological Activity	EC50 = 30000 nM (tested by experiment)					[14]
Tested Species	Homo sapiens (Human)
UniProt ID	TRPA1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Menthol
Biological Activity	EC50 = 56000 nM (tested by experiment)					[15]
Tested Species	Mus musculus (Mouse)
UniProt ID	TRPA1_MOUSE
DBT Name: Transient receptor potential p8 (TRPM8)				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	Menthol
Biological Activity	EC50 = 3000 nM (tested by experiment)					[16]
Tested Species	Homo sapiens (Human)
UniProt ID	TRPM8_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Menthol
Biological Activity	EC50 = 75000 nM (tested by experiment)					[17]
Tested Species	Rattus norvegicus (Rat)
UniProt ID	TRPM8_RAT
DBT Name: Vanilloid receptor 2 (TrpV2)				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 stearate
Biological Activity	IC50 > 10000 nM (estimated based on the structural similarity with CHEMBL1173381 )					[18]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Rattus norvegicus (Rat)
UniProt ID	TRPV2_RAT
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	Sodium stearate
Biological Activity	IC50 = 30000 nM (estimated based on the structural similarity with CHEMBL1173381 )					[19]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	PPARA_HUMAN
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	Sodium stearate
Biological Activity	IC50 = 30000 nM (estimated based on the structural similarity with CHEMBL1173381 )					[19]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	PPARD_HUMAN
DBT Name: PPAR-gamma (PPARG)				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 stearate
Biological Activity	IC50 = 30000 nM (estimated based on the structural similarity with CHEMBL1173381 )					[19]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	PPARG_HUMAN
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: Microglial BV-2 cells (BV-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	Sodium stearate
Biological Activity	IC50 > 100000 nM (estimated based on the structural similarity with CHEMBL464787 )					[20]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_0182
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)					[21]
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 )					[22]
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 )					[22]
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)					[21]
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	Succinct synthesis of saturated hydroxy fatty acids and in vitro evaluation of all hydroxylauric acids on FFA1, FFA4 and GPR84. Med Chem Comm. 2017; 8:1360-1365.
3	WO patent application no. 2001061359A2, NOVEL ASSAY.
4	An Agonist Radioligand for the Proinflammatory Lipid-Activated G Protein-Coupled Receptor GPR84 Providing Structural Insights. J Med Chem. 2020 Mar 12; 63(5):2391-2410.
5	O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1. Eur J Med Chem. 2016 Jan 27; 108:564-576.
6	Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod. 2001 Jun; 64(6):745-9.
7	Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
8	Fatty acids as natural specific inhibitors of the proto-oncogenic protein Shp2. Bioorg Med Chem Lett. 2011 Nov 15; 21(22):6833-7.
9	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.
10	Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett. 2018 May 10; 9(7):657-661.
11	Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members. J Biol Chem. 2007 Aug 17; 282(33):23841-53.
12	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.
13	Some molecular targets for antihyperlipidemic drug research. Eur J Med Chem. 2014 Oct 6; 85:535-68.
14	N-Cinnamoylanthranilates as human TRPA1 modulators: Structure-activity relationships and channel binding sites. Eur J Med Chem. 2019 May 15; 170:141-156.
15	Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. J Med Chem. 2010 Jul 22; 53(14):5085-107.
16	Serendipity in drug-discovery: a new series of 2-(benzyloxy)benzamides as TRPM8 antagonists. Bioorg Med Chem Lett. 2013 Nov 15; 23(22):6118-22.
17	Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators. J Med Chem. 2016 Mar 10; 59(5):2179-91.
18	Elongation of the Hydrophobic Chain as a Molecular Switch: Discovery of Capsaicin Derivatives and Endogenous Lipids as Potent Transient Receptor Potential Vanilloid Channel 2 Antagonists. J Med Chem. 2018 Sep 27; 61(18):8255-8281.
19	Molecular properties of fatty acids related to PPAR binding and metabolic diseases. Med Chem Res (2013) 22:3126-3133.
20	Natural neuro-inflammatory inhibitors from Caragana turfanensis. Bioorg Med Chem Lett. 2017 Oct 15; 27(20):4765-4769.
21	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.
22	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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