General Information of DFM (ID: F23653)
Name	Brimonidine Tartrate 0.2% solution
Company	Allergan
Active Pharmaceutical Ingredient (API)	Brimonidine tartrate		API Info click to show the detail info of this API
				Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E0X1KL	DIG Info	Benzalkonium chloride	Antimicrobial preservative ...
	E0F6AN	DIG Info	Kyselina citronova	Acidulant ...
	E0V3ER	DIG Info	Polyvinyl alcohol	Coating agent ...
	E0T4TW	DIG Info	Sodium chloride	Diluent ...
	E0M5SQ	DIG Info	Sodium citrate anhydrous	Alkalizing agent ...
	E0H2SC	DIG Info	Water	Solvent

Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
Oxidoreductase (ORase)
DBT Name: N1-methyl adenine demethylase (FTO)				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	Kyselina citronova
Biological Activity	IC50 = 300000 nM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	FTO_HUMAN
DBT Name: Monoamine oxidase (MAO)				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	Benzalkonium chloride
Biological Activity	IC50 = 8200 nM (estimated based on the structural similarity with CHEMBL8695 )					[2]
Structural Similarity	Tanimoto coefficient = 0.97260274
Tested Species	Rattus norvegicus (Rat)
UniProt ID	AOFA_RAT ; AOFB_RAT
DBT Name: RNA demethylase ALKBH5 (ALKB5)				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	Kyselina citronova
Biological Activity	IC50 = 488000 nM (tested by experiment)					[3]
Tested Species	Homo sapiens (Human)
UniProt ID	ALKB5_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 for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Polyvinyl alcohol
Biological Activity	IC50 = 548.9 uM (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2E1_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 for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Polyvinyl alcohol
Biological Activity	EC50 = 354.8 uM (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2D6_HUMAN
Lyase/isomerase/ligase (L/I/G)
DBT Name: Carbonic anhydrase IV (CA4)				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 citrate anhydrous
Biological Activity	Ki = 99 nM (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH4_HUMAN
Potential-driven transporter (PDT)
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	Benzalkonium chloride
Biological Activity	Inhibition ratio = 77.4 % (tested by experiment)					[6]
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	Benzalkonium chloride
Biological Activity	Ki = 62.1 uM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Nuclear receptor (NR)
DBT Name: Factor HNF-4-alpha (HNF4A)				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	Kyselina citronova
Biological Activity	IC50 = 39869 nM (tested by experiment)					[7]
Tested Species	Homo sapiens (Human)
UniProt ID	HNF4A_HUMAN
Other protein families (OPF)
DBT Name: Perilipin-1 (PLIN1)				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	Kyselina citronova
Biological Activity	IC50 = 3708 nM (tested by experiment)					[7]
Tested Species	Homo sapiens (Human)
UniProt ID	PLIN1_HUMAN

References
1	Structural basis for inhibition of the fat mass and obesity associated protein (FTO). J Med Chem. 2013 May 9; 56(9):3680-8.
2	Synthesis and monoamine oxidase inhibitory activities of alpha-allenic amines in vivo and in vitro. Different activities of two enantiomeric allenes. J Med Chem. 1983 Jul; 26(7):1036-42.
3	Repair of methyl lesions in RNA by oxidative demethylation. Med Chem Comm. (2014) 5:1797-1803.
4	Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
5	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.
6	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.
7	PubChem BioAssay data set.

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