General Information of DFM (ID: F12764)
Name	Meclizine 25 mg tablet
Company	Walgreens Company
Active Pharmaceutical Ingredient (API)	Meclizine		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
	E0TU6R	DIG Info	Acesulfame	Flavoring agent
	E0D0FA	DIG Info	Erythritol	Diluent ...
	E0M0IE	DIG Info	Ferric hydroxide oxide yellow	Colorant
	E0NG2J	DIG Info	Levomenthol	Flavoring agent
	E0Q6DQ	DIG Info	Mannitol	Diluent ...
	E01UTV	DIG Info	Silicon dioxide	Anticaking agent ...
	E0RS6F	DIG Info	Sodium stearyl fumarate	lubricant

Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
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 for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Silicon dioxide
Biological Activity	Protein expression downregulation (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_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	Acesulfame
Biological Activity	Ki > 20000 nM (tested by experiment)					[2]
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	Acesulfame
Biological Activity	Ki = 2400 nM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH9_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 )					[3]
Structural Similarity	Tanimoto coefficient = 0.804878049
Tested Species	Homo sapiens (Human)
UniProt ID	GLRA1_HUMAN
DBT Name: Wasabi receptor (TRPA1)				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	Levomenthol
Biological Activity	EC50 = 96000 nM (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	TRPA1_HUMAN
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 for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Levomenthol
Biological Activity	EC50 = 10100 nM (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	TRPM8_HUMAN
DBT Name: Calcium channel alpha-1C (CAC1C)				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	Levomenthol
Biological Activity	IC50 = 74600 nM (tested by experiment)					[5]
Tested Species	Oryctolagus cuniculus (Rabbit)
UniProt ID	CAC1C_RABIT
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 )					[6]
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 )					[6]
Structural Similarity	Tanimoto coefficient = 0.75
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0031

References
1	Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
2	Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett. 2018 May 10; 9(7):657-661.
3	Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
4	Identification of a Novel TRPM8 Agonist from Nutmeg: A Promising Cooling Compound. ACS Med Chem Lett. 2017 May 31; 8(7):715-719.
5	IC50 data for the L-type calcium channel extracted from a set of literature articles.
6	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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