General Information of DFM (ID: F05112)
Name	Cyclobenzaprine 30 mg capsule
Company	Cephalon
Active Pharmaceutical Ingredient (API)	Cyclobenzaprine		API Info click to show the detail info of this API
	Major depressive disorder		ICD-11: 6A70	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E01OUP	DIG Info	Allura red AC dye	Colorant
	E0N6BJ	DIG Info	Diethyl phthalate	Plasticizing agent ...
	E0IC9H	DIG Info	FD&C blue no. 1	Colorant
	E0L3MB	DIG Info	FD&C blue no. 2	Colorant
	E0PC2L	DIG Info	Polyethylene glycol 400	Coating agent ...
	E0M1JK	DIG Info	Propylene glycol	Antimicrobial preservative ...
	E0Q3PU	DIG Info	Saccharose	Binding agent ...
	E01UTV	DIG Info	Silicon dioxide	Anticaking agent ...
	E0L0MR	DIG Info	Sunset yellow FCF	Colorant
	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: Serotonin receptor 2B (5HT2B)				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. 1
Biological Activity	EC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT2B_HUMAN
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
DBT Name: Cannabinoid CB2 receptor (CNR2)				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. 1
Biological Activity	EC50 = 608.6 nM (estimated based on the structural similarity with CHEMBL2326294 )					[2]
Structural Similarity	Tanimoto coefficient = 0.805970149
Tested Species	Homo sapiens (Human)
UniProt ID	CNR2_HUMAN
DBT Name: Serotonin receptor 1A (5HT1A)				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	Allura red AC dye
Biological Activity	IC50 = 19 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT1A_HUMAN
DBT Name: Dopamine D1 receptor (DRD1)				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	Allura red AC dye
Biological Activity	IC50 = 29 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	DRD1_HUMAN
Oxidoreductase (ORase)
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	FD&C blue no. 1
Biological Activity	IC50 = 22 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	Allura red AC dye
Biological Activity	IC50 = 26 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
Experiment (3) 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: 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)					[3]
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	Polyethylene glycol 400
Biological Activity	IC50 = 10.77 mg.mL-1 (tested by experiment)					[3]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Silicon dioxide
Biological Activity	Protein expression downregulation (tested by experiment)					[4]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_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: Acetylcholinesterase (ACHE)				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	FD&C blue no. 1
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACES_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACES_HUMAN
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 )					[5]
Structural Similarity	Tanimoto coefficient = 0.822222222
Tested Species	Homo sapiens (Human)
UniProt ID	PTN11_HUMAN
DBT Name: Protein-tyrosine phosphatase 1B (PTPN1)				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	Allura red AC dye
Biological Activity	IC50 = 33000 nM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	PTN1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 410000 nM (tested by experiment)					[6]
Tested Species	Saccharomyces cerevisiae (Yeast)
UniProt ID	PTP1_YEAST
DBT Name: Phosphodiesterase 3A (PDE3A)				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	Allura red AC dye
Biological Activity	IC50 = 17 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE3A_HUMAN
DBT Name: Phosphodiesterase 4D (PDE4D)				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	Diethyl phthalate
Biological Activity	IC50 = 8.5 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	IC50 = 28 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_HUMAN
Primary active transporter (PAT)
DBT Name: Multidrug resistance protein 2 (ABCC2)				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	Polyethylene glycol 400
Biological Activity	Inhibition ratio = 67 % (tested by experiment)					[7]
Tested Species	Homo sapiens (Human)
UniProt ID	MRP2_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Polyethylene glycol 400
Biological Activity	Inhibition ratio > 73 % (tested by experiment)					[8]
Tested Species	Homo sapiens (Human)
UniProt ID	MRP2_HUMAN
DBT Name: Multidrug resistance protein 1 (ABCB1)				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	Polyethylene glycol 400
Biological Activity	Inhibition ratio = 28 % (tested by experiment)					[9]
Tested Species	Homo sapiens (Human)
UniProt ID	MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Polyethylene glycol 400
Biological Activity	Inhibition ratio = 64 % (tested by experiment)					[10]
Tested Species	Homo sapiens (Human)
UniProt ID	MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_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	Sunset yellow FCF
Biological Activity	Inhibition ratio = 54.5 % (tested by experiment)					[11]
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	Sunset yellow FCF
Biological Activity	Ki = 68.4 uM (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sunset yellow FCF
Biological Activity	Ki = 74 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (4) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	Inhibition ratio = 80.5 % (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (5) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	Ki = 13 uM (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (6) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	Inhibition ratio = 96.52 % (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (7) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	Ki = 2.59 uM (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (8) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	Ki = 4.7 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (9) 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)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
DBT Name: Solute carrier SLCO1A2 (OATP-A)				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	Polyethylene glycol 400
Biological Activity	IC50 = 0.14 %(w/v) (tested by experiment)					[12]
Tested Species	Homo sapiens (Human)
UniProt ID	SO1A2_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Polyethylene glycol 400
Biological Activity	IC50 = 0.05 %(w/v) (tested by experiment)					[12]
Tested Species	Homo sapiens (Human)
UniProt ID	SO1A2_HUMAN
Transmembrane channel/porin (TC/P)
DBT Name: GABA(A) receptor alpha-1 (GABRA1)				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	Allura red AC dye
Biological Activity	IC50 = 22 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	GBRA1_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	Allura red AC dye
Biological Activity	IC50 = 28 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ANDR_HUMAN
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	Allura red AC dye
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
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	FD&C blue no. 2
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ESR1_HUMAN
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	Allura red AC dye
Biological Activity	IC50 = 30 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PRGR_HUMAN
Other protein families (OPF)
DBT Name: Thrombopoietin receptor (MPL)				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	Sunset yellow FCF
Biological Activity	EC50 = 3000 nM (estimated based on the structural similarity with CHEMBL122867 )					[13]
Structural Similarity	Tanimoto coefficient = 0.93081761
Tested Species	Homo sapiens (Human)
UniProt ID	TPOR_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	EC50 = 300 nM (estimated based on the structural similarity with CHEMBL123373 )					[13]
Structural Similarity	Tanimoto coefficient = 0.925714286
Tested Species	Homo sapiens (Human)
UniProt ID	TPOR_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 for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Diethyl phthalate
Biological Activity	IC50 = 38000 nM (estimated based on the structural similarity with CHEMBL4071043 )					[14]
Structural Similarity	Tanimoto coefficient = 0.970588235
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0023

References
1	The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
2	Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation. J Med Chem. 2013 Mar 14; 56(5):2045-58.
3	Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
4	Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
5	US patent application no. 8987474B2, Inhibition of Shp2/PTPN11 Protein Tyrosine Phosphatase by NSC-87877, NSC-117199 and Their Analogs.
6	Evans Blue and other dyes as protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett. 2004 Apr 19; 14(8):1923-6.
7	Inhibition of human efflux transporter ABCC2 (MRP2) by self-emulsifying drug delivery system: influences of concentration and combination of excipients. J Pharm Pharm Sci. 2014;17(4):447-60.
8	Interactions between human multidrug resistance related protein (MRP2; ABCC2) and excipients commonly used in self-emulsifying drug delivery systems (SEDDS). Int J Pharm. 2013 Apr 15;447(1-2):192-8.
9	The effect of polyoxyethylene polymers on the transport of ranitidine in Caco-2 cell monolayers. Int J Pharm. 2011 May 16;409(1-2):164-8.
10	Modulation of intestinal P-glycoprotein function by polyethylene glycols and their derivatives by in vitro transport and in situ absorption studies. Int J Pharm. 2006 Apr 26;313(1-2):49-56.
11	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.
12	Pharmaceutical excipients influence the function of human uptake transporting proteins. Mol Pharm. 2012 Sep 4;9(9):2577-81.
13	Hydrazinonaphthalene and azonaphthalene thrombopoietin mimics are nonpeptidyl promoters of megakaryocytopoiesis. J Med Chem. 2001 Oct 25; 44(22):3730-45.
14	Novel bioactive molecules from Lentzea violacea strain AS 08 using one strain-many compounds (OSMAC) approach. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2579-2582.

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