General Information of DFM (ID: F23118)
Name	Clofazimine 100mg capsule
Company	Novartis
Active Pharmaceutical Ingredient (API)	Clofazimine		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
	E0J0LX	DIG Info	Butylated hydroxytoluene	Antioxidant
	E01EBV	DIG Info	Ethyl vanillin	Flavoring agent
	E08RJB	DIG Info	Ethylparaben	Antimicrobial preservative
	E0T2WF	DIG Info	Ferric oxide black	Colorant
	E02FBG	DIG Info	Ferrosoferric oxide	Colorant
	E00FTX	DIG Info	Gelatin	Other agent
	E06WYP	DIG Info	Glycerin	Antimicrobial preservative ...
	E0L1TV	DIG Info	Haematite red	Colorant
	E0F6AN	DIG Info	Kyselina citronova	Acidulant ...
	E0V6QI	DIG Info	methylparaben	Antimicrobial preservative
	E0M1JK	DIG Info	Propylene glycol	Antimicrobial preservative ...
	E0X6QO	DIG Info	Propylparaben sodium	Antimicrobial preservative
	E0HR5F	DIG Info	Soybean lecithin	Other agent

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: 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)					[2]
Tested Species	Homo sapiens (Human)
UniProt ID	ALKB5_HUMAN
DBT Name: Aldehyde dehydrogenase 5A1 (ALDH5A1)				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	Ethyl vanillin
Biological Activity	IC50 = 15600 nM (estimated based on the structural similarity with CHEMBL13883 )					[3]
Structural Similarity	Tanimoto coefficient = 0.975806452
Tested Species	Homo sapiens (Human)
UniProt ID	SSDH_HUMAN
DBT Name: Albendazole monooxygenase (CYP3A4)				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	Propylene glycol
Biological Activity	Inhibition ratio < 20 % (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Soybean lecithin
Biological Activity	IC50 = 6.61 mg.mL-1 (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_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	Gelatin
Biological Activity	IC50 = 141.2 uM (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2E1_HUMAN
DBT Name: Cytochrome P450 2C9 (CYP2C9)				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	Gelatin
Biological Activity	EC50 = 249.5 uM (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2C9_HUMAN
DBT Name: Mephenytoin 4-hydroxylase (CYP2C19)				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	Gelatin
Biological Activity	EC50 = 20.5 uM (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2CJ_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	Gelatin
Biological Activity	EC50 = 379.9 uM (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2D6_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 (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	methylparaben
Biological Activity	Ki = 2600 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Ethylparaben
Biological Activity	Ki = 7900 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH1_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Butylated hydroxytoluene
Biological Activity	Ki = 245200 nM (tested by experiment)					[7]
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 (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	methylparaben
Biological Activity	Ki = 3400 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Ethylparaben
Biological Activity	Ki = 4800 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Butylated hydroxytoluene
Biological Activity	Ki = 630 nM (tested by experiment)					[7]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
DBT Name: Carbonic anhydrase IX (CA9)				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	methylparaben
Biological Activity	Ki = 5500 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH9_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Ethylparaben
Biological Activity	Ki = 8200 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH9_HUMAN
DBT Name: Carbonic anhydrase VII (CA7)				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	methylparaben
Biological Activity	Ki = 780 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH7_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Ethylparaben
Biological Activity	Ki = 8700 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH7_HUMAN
DBT Name: Carbonic anhydrase XII (CA12)				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	methylparaben
Biological Activity	Ki = 820 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH12_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Ethylparaben
Biological Activity	Ki = 8600 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH12_HUMAN
DBT Name: Carbonic anhydrase XIV (CA14)				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	methylparaben
Biological Activity	Ki = 4100 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH14_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Ethylparaben
Biological Activity	Ki = 7700 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH14_HUMAN
DBT Name: Cholesterol 25-hydroxylase (CYP1A2)				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	Gelatin
Biological Activity	IC50 = 40.9 uM (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	CP1A2_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 for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Ethylparaben
Biological Activity	Inhibition ratio = 25.4 % (tested by experiment)					[8]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
DBT Name: Monoamine transporter VAT2 (VMAT2)				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	Ethylparaben
Biological Activity	Ki = 22 uM (tested by experiment)					[9]
Tested Species	Homo sapiens (Human)
UniProt ID	VMAT2_HUMAN
Nuclear receptor (NR)
DBT Name: Androgen receptor (AR)				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	methylparaben
Biological Activity	IC50 > 426579.52 nM (tested by experiment)					[10]
Tested Species	Rattus norvegicus (Rat)
UniProt ID	ANDR_RAT
DBT Name: Estrogen receptor alpha (ESR1)				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	Ethylparaben
Biological Activity	EC50 = 38200 nM (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	ESR1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Propylparaben sodium
Biological Activity	EC50 = 38200 nM (estimated based on the structural similarity with CHEMBL15841 )					[11]
Structural Similarity	Tanimoto coefficient = 0.946428571
Tested Species	Homo sapiens (Human)
UniProt ID	ESR1_HUMAN
DBT Name: Estrogen receptor beta (ESR2)				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	Ethylparaben
Biological Activity	EC50 = 1860 nM (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	ESR2_HUMAN
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)					[12]
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)					[12]
Tested Species	Homo sapiens (Human)
UniProt ID	PLIN1_HUMAN
Cell line (CELL)
DBT Name: Lung cancer A-549 cells (A-549)				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	methylparaben
Biological Activity	IC50 > 20 ug.mL-1 (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0023
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Ethyl vanillin
Biological Activity	IC50 = 16.42 ug.mL-1 (estimated based on the structural similarity with CHEMBL13883 )					[14]
Structural Similarity	Tanimoto coefficient = 0.975806452
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0023
DBT Name: Hepatoblastoma HepG2 cells (HepG2)				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	methylparaben
Biological Activity	IC50 > 20 ug.mL-1 (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0027
DBT Name: Cervical cancer KB cells (KB)				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	methylparaben
Biological Activity	IC50 > 200000 nM (tested by experiment)					[15]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0372
DBT Name: Breast cancer MCF7 cells (MCF7)				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	Ethyl vanillin
Biological Activity	IC50 = 15.69 ug.mL-1 (estimated based on the structural similarity with CHEMBL13883 )					[14]
Structural Similarity	Tanimoto coefficient = 0.975806452
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0031
DBT Name: Carcinoma MDA-MB-231 cells (MDA-MB-231)				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	methylparaben
Biological Activity	IC50 > 20 ug.mL-1 (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0062

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	Repair of methyl lesions in RNA by oxidative demethylation. Med Chem Comm. (2014) 5:1797-1803.
3	Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. Bioorg Med Chem Lett. 2006 Feb; 16(3):592-5.
4	Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
5	Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
6	Mono-/dihydroxybenzoic acid esters and phenol pyridinium derivatives as inhibitors of the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. Bioorg Med Chem. 2013 Mar 15; 21(6):1564-9.
7	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.
8	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.
9	The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
10	Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. J Med Chem. 2005 Sep 8; 48(18):5666-74.
11	Discovery of natural estrogen receptor modulators with structure-based virtual screening. Bioorg Med Chem Lett. 2013 Jun 1; 23(11):3329-33.
12	PubChem BioAssay data set.
13	Bioactive Phenolic Components from the Twigs of Atalantia buxifolia. J Nat Prod. 2018 Jul 27; 81(7):1534-1539.
14	Influenza A (H(1)N(1)) Antiviral and Cytotoxic Agents from Ferula assa-foetida. J Nat Prod. 2009 Sep; 72(9):1568-72.
15	Synthesis and biological evaluation of 12 allenic aromatic ethers. Bioorg Med Chem Lett. 2007 May 15; 17(10):2785-8.

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