BENZOYL PEROXIDE

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Search structure


Synonyms	Acetoxyl 2.5 Acetoxyl 5 Acne-aid cream Acnecide Acnecide 10 Acnegel Acnegel fte Acnidazil Anhydrous benzoyl peroxide Benoxyl Benoxyl 10 Benoxyl 20 Benoxyl 5 Benzac Benzac w Benzagel 10 Benzagel 5 Benzamycin Benzoyl peroxide Benzoyl peroxide anhydrous Benzoyl superoxide Benzoylis peroxidum cum aqua Brevoxyl Clear by design Clearasil max 10 Dermoxyl Dry and clear Dry clear E-928 E928 Epi-clear Fostex bpo bar, gel, and wash Gppe lotio gel Hydrous benzoyl peroxide Ins no.928 Ins-928 Loroxide Mediclear Mediclear acne 10 Mediclear acne 5 NSC-671 NSC-675 Nericur Oxy-10 Oxy-10 cover-up Oxy-5 Panoxyl Panoxyl 10 Panoxyl 10 acnegel Panoxyl 10 aquagel Panoxyl 2.5 aquagel Panoxyl 5 acnegel Panoxyl 5 aquagel Panoxyl crm 5 Panoxyl lot 10 Panoxyl lot 5 Persa-gel Quinoderm 5 Quinoped Theraderm 10 Theraderm 5 Topex Ultra clearasil Valderma Vanair Vanoxide
Status
Molecule Category	Free-form
ATC	D10AE01
UNII	W9WZN9A0GM
EPA CompTox	DTXSID6024591


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	OMPJBNCRMGITSC-UHFFFAOYSA-N
Smiles	O=C(OOC(=O)c1ccccc1)c1ccccc1
InChI	InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H10O4
Molecular Weight	242.23
AlogP	2.62
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	2.0
Polar Surface Area	52.6
Molecular species	None
Aromatic Rings	2.0
Heavy Atoms	18.0

Bioactivity

Mechanism of Action	Action	Reference
Releases active oxygen	None	DailyMed

Assay Description	Organism	Bioactivity	Reference
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	22.47 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	30.68 %		SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	4.951 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.04 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.18 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.04 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.18 %

Cross References

Resources	Reference
ChEBI	82405
ChEMBL	CHEMBL1200370
DrugBank	DB09096
DrugCentral	328
FDA SRS	W9WZN9A0GM
Human Metabolome Database	HMDB0032040
KEGG	C19346
PubChem	7187
SureChEMBL	SCHEMBL63
ZINC	ZINC000000001016

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).