General Information of DFM (ID: F23684)
Name	Ciclopirox 0.77% suspension
Company	Medimetriks Pharms
Active Pharmaceutical Ingredient (API)	Ciclopirox		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 ...
	E07AGB	DIG Info	Cetyl alcohol	Coating agent ...
	E0D6JV	DIG Info	Lactic acid	Acidulant
	E07AXS	DIG Info	Myristyl alcohol	Emollient ...
	E0QA6Q	DIG Info	Octyldodecanol	Emollient ...
	E0E1QN	DIG Info	Sorbitan monostearate	Dispersing agent ...
	E0XV1Z	DIG Info	Stearyl alcohol	Emollient ...
	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
Cell line (CELL)
DBT Name: Breast cancer FM3A cells (FM3A)				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	Cetyl alcohol
Biological Activity	EC50 = 1600 nM (estimated based on the structural similarity with CHEMBL28459 )					[2]
Structural Similarity	Tanimoto coefficient = 0.861111111
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_3869
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 )					[3]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0440

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	Synthesis and notable antimalarial activity of acyclic peroxides, L-(alkyldioxy)-L-(methyldioxy)cyclododecanes. J Med Chem. 2002 Mar 14; 45(6):1374-8.
3	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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