Dibenzoyl peroxide

Specific investigations: other studies

Administrative data

Endpoint:

biochemical or cellular interactions

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Data source

Reference

Reference 1

Reference Type:

publication

Title:

PubChem BioAssay: 2017 update

Author:

Wang Y, Bryant SH, Cheng T, et al.

Year:

2017

Bibliographic source:

Nucleic Acids Research, 45, D955–D963 (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5210581/pdf/gkw1118.pdf)

Reference 2

Reference Type:

other: Data deposited in or computed by PubChem

Title:

PubChem Compound Database; CID=7187

Author:

NCBI (National Center for Biotechnology Information)

Year:

2017

Bibliographic source:

https://pubchem.ncbi.nlm.nih.gov/compound/7187 (accessed Apr. 10, 2017)

Materials and methods

Principles of method if other than guideline:

The PubChem BioAssay database was searched for chemogenomic, medicinal chemistry and functional genomics biological activities. Assays were retrieved for cell viability and agonist and/or antagonist activities on the peroxisome proliferator-activated receptor alpha (PPARa), delta (PPARd) and gamma (PPARg), androgen receptor (AR), estrogen receptor alpha (ER-alpha), thyroid receptor (TR) and glucocorticoid receptor (GR), p53, vitamin D receptor (VDR), retinoic acid receptor (RAR), farnesoid-X-receptor (FXR), hypoxia (HIF-1), NFkB, RXR, retinoid-related orphan receptor gamma (ROR-gamma), human pregnane X receptor (PXR), constitutive androstane receptor (CAR), retinoid-related orphan receptor gamma (ROR-gamma) and aryl hydrocarbon receptor (AhR) signaling pathways.

Type of method:

in vivo

Test material

Test material information

Constituent 1

Reference substance name:

Dibenzoyl peroxide

EC Number:

202-327-6

EC Name:

Dibenzoyl peroxide

Cas Number:

94-36-0

Molecular formula:

C14H10O4

IUPAC Name:

diphenylperoxyanhydride

Specific details on test material used for the study:

PubChem CID: 7187

Results and discussion

Details on results:

292 bioassays with 398 bioactivity outcomes were retrieved from the PubChem BioAssay data base. BPO was reported as inactive in 360 outcomes, inconclusive in 14 outcomes and active in 4 outcomes. Results were not specified for 20 outcomes. The 4 active outcomes were not demonstrative of a toxicological activity.

Any other information on results incl. tables

The list of all the assays performed is displayed in the enclosed excel file.

Detailed data on the 4 assays reported as active are displayed below.

Substance ID	BioAssay name	Target
268734888	AID 1159580; The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Prediction of Synergism from Chemical-Genetic Interactions by Machine Learning. Cell Systems Volume 1, Issue 6, p383-395
103770353	AID 1159620; Summary of drug indications.
29215306	AID 880; qHTS Assay for Inhibitors of RGS12 GoLoco Motif Activity (Red Fluorophore)	Accession AAC39835; RGS12 [Homo sapiens]
29215306	AID 880; qHTS Assay for Inhibitors of RGS12 GoLoco Motif Activity (Red Fluorophore)	Accession NP_002060; guanine nucleotide-binding protein G(i) subunit alpha-1 isoform 1 [Homo sapiens]

 

Data for SID 268734888 in AID 1159580

orf	YJR066W
sym	TOR1
raw OD read 1	0.8179
raw OD read 2	0.8173
normalized OD average	0.819912
z_score	-4.15444
p_value	0.0000164596
non replicate	0
cryptagen	0
bioactivity	sensitive

 

Data for SID 103770353 in AID 1159620

First Approval	1984
MeSH ID	D000152
MeSH Heading	ACNE VULGARIS
EFO ID	EFO:00038
EFO Term	ACNE
Max Phase for Indication	4
References	DailyMed

 

Data for SID 29215306 in AID 880

Phenotype	Inhibitor
Potency [uM]	35.4813
Efficacy [%]	91.4035
Curve_Description	Partial curve; high efficacy
Fit_LogAC50	-4.45
Fit_HillSlope	1.5386
Fit_R2	0.9583
Fit_InfiniteActivity [%]	-168.96
Fit_ZeroActivity [%]	-77.5565
Fit_CurveClass	-2.1
Excluded_Points	0 0 0 0 0
Max_Response [%]	-140.8
Activity at 0.094 uM [%]	-68.71
Activity at 0.551 uM [%]	-82.58
Activity at 2.4054 uM	-83.62
Activity at 14.16 uM [%]	-90.07
Activity at 61.64 uM [%]	-140.8
Compound QC	QC'd by "Labotest"

 

Data for SID 29215306 in AID 880

Phenotype	Inhibitor
Potency [uM]	35.4813
Efficacy [%]	91.4035
Curve_Description	Partial curve; high efficacy
Fit_LogAC50	-4.45
Fit_HillSlope	1.5386
Fit_R2	0.9583
Fit_InfiniteActivity [%]	-168.96
Fit_ZeroActivity [%]	-77.5565
Fit_CurveClass	-2.1
Excluded_Points	0 0 0 0 0
Max_Response [%]	-140.8
Activity at 0.094 uM [%]	-68.71
Activity at 0.551 uM [%]	-82.58
Activity at 2.4054 uM	-83.62
Activity at 14.16 uM [%]	-90.07
Activity at 61.64 uM [%]	-140.8
Compound QC	QC'd by "Labotest"

Applicant's summary and conclusion

Executive summary:

The PubChem BioAssay database was searched for chemogenomic, medicinal chemistry and functional genomics biological activities. 292 bioassays with 398 bioactivity outcomes were retrieved from the PubChem BioAssay data base. BPO was reported as inactive in 360 outcomes, inconclusive in 14 outcomes and active in 4 outcomes. Results were not specified for 20 outcomes. The 4 active outcomes were not demonstrative of a toxicological activity. Therefore, BPO appearred to be devoied of activity in cell viability assays, and of agonist and/or antagonist activities on the peroxisome proliferator-activated receptor alpha (PPARa), delta (PPARd) and gamma (PPARg), androgen receptor (AR), estrogen receptor alpha (ER-alpha), thyroid receptor (TR) and glucocorticoid receptor (GR), p53, vitamin D receptor (VDR), retinoic acid receptor (RAR), farnesoid-X-receptor (FXR), hypoxia (HIF-1), NFkB, RXR, retinoid-related orphan receptor gamma (ROR-gamma), human pregnane X receptor (PXR), constitutive androstane receptor (CAR), retinoid-related orphan receptor gamma (ROR-gamma) and aryl hydrocarbon receptor (AhR) signaling pathways.