General Information of DFM (ID: F10882)
Name	Isotretinoin 35 mg capsule
Company	Sun Pharmaceutical Industries
Active Pharmaceutical Ingredient (API)	Isotretinoin		API Info click to show the detail info of this API
	Acne vulgaris		ICD-11: ED80	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E09YYN	DIG Info	Eisenoxyd	Colorant
	E0L3MB	DIG Info	FD&C blue no. 2	Colorant
	E0M0IE	DIG Info	Ferric hydroxide oxide yellow	Colorant
	E02FBG	DIG Info	Ferrosoferric oxide	Colorant
	E0U9NK	DIG Info	Propyl gallate	Antimicrobial preservative ...
	E0M1JK	DIG Info	Propylene glycol	Antimicrobial preservative ...
	E0L2PN	DIG Info	Sodium hydroxide	Alkalizing agent
	E0T3FM	DIG Info	Sorbitan monooleate	Dispersing agent ...
	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: Adenosine receptor A3 (AA3R)				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	FD&C blue no. 2
Biological Activity	IC50 = 1 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AA3R_HUMAN
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	Propyl gallate
Biological Activity	Ki = 3 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	FTO_HUMAN
DBT Name: Arachidonate 5-lipoxygenase (ALOX5)				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	Propyl gallate
Biological Activity	Ki = 0.43 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	LOX5_HUMAN
DBT Name: Monoamine oxidase A (MAO-A)				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	FD&C blue no. 2
Biological Activity	IC50 > 3 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AOFA_HUMAN
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 (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Propyl gallate
Biological Activity	IC50 = 7.2 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	IC50 = 24 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
DBT Name: Lysine-specific demethylase 4C (KDM4C)				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	Propyl gallate
Biological Activity	Ki = 39 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	KDM4C_HUMAN
DBT Name: Tyrosine 3-monooxygenase (TH)				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	Propyl gallate
Biological Activity	Ki = 1.9 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	TY3H_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
Cation-dependent O-methyltransferase
DBT Name: Catechol O-methyltransferase (COMT)				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	Propyl gallate
Biological Activity	Ki = 0.015 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	COMT_HUMAN
Transferase (TFase)
DBT Name: VEGF-2 receptor (KDR)				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	FD&C blue no. 2
Biological Activity	IC50 = 3.1 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	VGFR2_HUMAN
Hydrolase (HDase)
DBT Name: Protein-tyrosine phosphatase 1D (PTPN11)				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	FD&C blue no. 2
Biological Activity	IC50 = 7940 nM (estimated based on the structural similarity with CHEMBL3692077 )					[3]
Structural Similarity	Tanimoto coefficient = 0.822222222
Tested Species	Homo sapiens (Human)
UniProt ID	PTN11_HUMAN
DBT Name: Phosphodiesterase 4D (PDE4D)				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	Propyl gallate
Biological Activity	IC50 = 26 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_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 (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Propyl gallate
Biological Activity	Inhibition ratio = 29.6 % (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	Inhibition ratio = 26 % (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Nuclear receptor (NR)
DBT Name: Estrogen receptor alpha (ESR1)				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	FD&C blue no. 2
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ESR1_HUMAN
Other protein families (OPF)
DBT Name: Anthrax toxin receptor 2 (CMG-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	Propyl gallate
Biological Activity	IC50 > 300000 nM (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	ANTR2_HUMAN

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	US patent application no. 8987474B2, Inhibition of Shp2/PTPN11 Protein Tyrosine Phosphatase by NSC-87877, NSC-117199 and Their Analogs.
4	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.
5	1,2,3,4,6-Penta-O-galloyl--D-glucopyranose inhibits angiogenesis via inhibition of capillary morphogenesis gene 2. J Med Chem. 2013 Mar 14; 56(5):1940-5.

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