General Information of DFM (ID: F24431)
Name	Clotrimazole eq 0.05% base cream
Company	Merck Sharp Dohme
Active Pharmaceutical Ingredient (API)	Clotrimazole		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 ...
	E0SM9B	DIG Info	Phosphoric acid	Acidulant ...
	E0M1JK	DIG Info	Propylene glycol	Antimicrobial preservative ...
	E02UFT	DIG Info	Sodium phosphate monobasic monohydrate	Buffering 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
DBT Name: Albendazole monooxygenase (CYP3A4)				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	Propylene glycol
Biological Activity	Inhibition ratio < 20 % (tested by experiment)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_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	Phosphoric acid
Biological Activity	Ki = 9800 nM (estimated based on the structural similarity with CHEMBL1060 )					[3]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
UniProt ID	CAH4_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 )					[4]
Structural Similarity	Tanimoto coefficient = 0.861111111
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_3869

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	Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
3	Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral drug foscarnet. Bioorg Med Chem Lett. 2004 Dec 6; 14(23):5763-7.
4	Synthesis and notable antimalarial activity of acyclic peroxides, L-(alkyldioxy)-L-(methyldioxy)cyclododecanes. J Med Chem. 2002 Mar 14; 45(6):1374-8.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.