General Information of DFM (ID: F23574)
Name	Tofacitinib Citrate eq 1mg base/ml solution
Company	Pfizer
Active Pharmaceutical Ingredient (API)	Tofacitinib		API Info click to show the detail info of this API
	Rheumatoid arthritis		ICD-11: FA20	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E0H0KW	DIG Info	Hydrochloric acid	Acidulant
	E0D6JV	DIG Info	Lactic acid	Acidulant
	E0Y7PW	DIG Info	Sodium benzoate	Antimicrobial preservative ...
	E04KTP	DIG Info	Sucralose	Flavoring agent
	E0H2SC	DIG Info	Water	Solvent
	E0V5AX	DIG Info	Xylitol	Coating 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 II (CA2)				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	Sucralose
Biological Activity	Ki = 300 nM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium benzoate
Biological Activity	Ki = 30000 nM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
DBT Name: Carbonic anhydrase IV (CA4)				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	Hydrochloric acid
Biological Activity	Ki = 90000 nM (tested by experiment)					[3]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH4_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium benzoate
Biological Activity	Ki = 74700 nM (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH4_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)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH9_HUMAN
DBT Name: Carbonic anhydrase V (CA5)				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	Hydrochloric acid
Biological Activity	Ki = 156 nM (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH5A_HUMAN ; CAH5B_HUMAN
Cell line (CELL)
DBT Name: Fetal lung MRC5 cells (MRC5)				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	Lactic acid
Biological Activity	IC50 = 23930 nM (estimated based on the structural similarity with CHEMBL330546 )					[5]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0440

References
1	Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett. 2018 May 10; 9(7):657-661.
2	Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. Bioorg Med Chem Lett. 2005 Feb 1; 15(3):573-8.
3	Carbonic anhydrase inhibitors: inhibition of the membrane-bound human isozyme IV with anions. Bioorg Med Chem Lett. 2004 Dec 6; 14(23):5769-73.
4	Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.
5	Design, synthesis and biological studies of a library of NK1-Receptor Ligands Based on a 5-arylthiosubstituted 2-amino-4,6-diaryl-3-cyano-4H-pyran core: Switch from antagonist to agonist effect by chemical modification. Eur J Med Chem. 2017 Sep 29; 138:644-660.

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