General Information of DFM (ID: F24067)
Name	Ingenol Mebutate 0.05% gel
Company	Leo Labs
Active Pharmaceutical Ingredient (API)	Ingenol mebutate		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
	E0NY1O	DIG Info	Benzyl alcohol	Antimicrobial preservative ...
	E09QIG	DIG Info	Citric acid monohydrate	Acidulant ...
	E00ZZW	DIG Info	Hydroxyethyl cellulose	Coating agent ...
	E0N2PK	DIG Info	Isopropyl alcohol	Antimicrobial preservative ...
	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: 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 )					[1]
Structural Similarity	Tanimoto coefficient = 0.848101266
Tested Species	Homo sapiens (Human)
UniProt ID	I23O1_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)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH4_HUMAN
Cell line (CELL)
DBT Name: Lymphoma P388/ADR cells (P388/ADR)				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	Isopropyl alcohol
Biological Activity	IC50 = 0.22 uM (estimated based on the structural similarity with CHEMBL545 )					[3]
Structural Similarity	Tanimoto coefficient = 0.789473684
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_IZ75

References
1	O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1. Eur J Med Chem. 2016 Jan 27; 108:564-576.
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	Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. J Med Chem. 2004 Mar 11; 47(6):1413-22.

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