General Information of DFM (ID: F03155)
Name	Calcitriol 0.0005 mg capsule
Company	Cardinal Health; Physicians Total Care
Active Pharmaceutical Ingredient (API)	Calcitriol		API Info click to show the detail info of this API
	Congenital alopecia		ICD-11: LC30	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E0A1CS	DIG Info	Ammonia	Alkalizing agent
	E0J0LX	DIG Info	Butylated hydroxytoluene	Antioxidant
	E0QV6C	DIG Info	Butylhydroxyanisole	Antimicrobial preservative ...
	E09YYN	DIG Info	Eisenoxyd	Colorant
	E0M0IE	DIG Info	Ferric hydroxide oxide yellow	Colorant
	E06WYP	DIG Info	Glycerin	Antimicrobial preservative ...
	E04KSN	DIG Info	Hexahydric alcohol	Diluent ...
	E0N2PK	DIG Info	Isopropyl alcohol	Antimicrobial preservative ...
	E0Q6DQ	DIG Info	Mannitol	Diluent ...
	E0M1JK	DIG Info	Propylene glycol	Antimicrobial preservative ...
	E05BSD	DIG Info	Titanium dioxide	Coating agent ...

Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
G-protein coupled receptor (GPCR)
DBT Name: Muscarinic receptor M1 (ACM1)				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	Butylhydroxyanisole
Biological Activity	IC50 = 19 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACM1_HUMAN
DBT Name: Alpha-1A adrenoceptor (ADA1A)				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	Butylhydroxyanisole
Biological Activity	IC50 = 19 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ADA1A_HUMAN
Oxidoreductase (ORase)
DBT Name: Prostaglandin G/H synthase 2 (COX-2)				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	Butylhydroxyanisole
Biological Activity	IC50 = 2.6 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_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 I (CA1)				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	Butylated hydroxytoluene
Biological Activity	Ki = 245200 nM (tested by experiment)					[3]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH1_HUMAN
DBT Name: Carbonic anhydrase II (CA2)				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	Butylated hydroxytoluene
Biological Activity	Ki = 630 nM (tested by experiment)					[3]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
Transmembrane channel/porin (TC/P)
DBT Name: Glycine receptor alpha-1 (GLRA1)				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	Mannitol
Biological Activity	EC50 = 12589.25 nM (estimated based on the structural similarity with CHEMBL604608 )					[4]
Structural Similarity	Tanimoto coefficient = 0.804878049
Tested Species	Homo sapiens (Human)
UniProt ID	GLRA1_HUMAN
Nuclear receptor (NR)
DBT Name: Progesterone receptor (PGR)				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	Butylhydroxyanisole
Biological Activity	IC50 = 29 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PRGR_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 )					[5]
Structural Similarity	Tanimoto coefficient = 0.789473684
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_IZ75

References
1	The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
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. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols. Bioorg Med Chem. 2009 Apr 15; 17(8):3207-11.
4	Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
5	Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. J Med Chem. 2004 Mar 11; 47(6):1413-22.

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