General Information of DFM (ID: F20020)
Name	Simethicone 80 mg tablet
Company	Novartis Consumer Health
Active Pharmaceutical Ingredient (API)	Simethicone		API Info click to show the detail info of this API
	Irritable bowel syndrome		ICD-11: DD91	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E0JA5E	DIG Info	Calcium carbonate	Binding agent ...
	E0NN4I	DIG Info	Dextrin	Binding agent ...

Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
Lyase/isomerase/ligase (L/I/G)
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	Calcium carbonate
Biological Activity	Ki = 8600 nM (estimated based on the structural similarity with CHEMBL1161632 )					[1]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	CAH9_HUMAN
DBT Name: Carbonic anhydrase VII (CA7)				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	Calcium carbonate
Biological Activity	Ki = 160000 nM (estimated based on the structural similarity with CHEMBL1161632 )					[2]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	CAH7_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 for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Dextrin
Biological Activity	Inhibition ratio > 55 % (tested by experiment)					[3]
Tested Species	Homo sapiens (Human)

References
1	Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbonate. Bioorg Med Chem Lett. 2005 Feb 1; 15(3):567-71.
2	Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions. Bioorg Med Chem Lett. 2006 Jun 15; 16(12):3139-43.
3	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.

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