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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200370
CHEMBL1200370
Compound Name BENZOYL PEROXIDE
ChEMBL Synonyms LOROXIDE | EPI-CLEAR | ACNE-AID CREAM | PERSA-GEL | PANOXYL | E928 | CLEAR BY DESIGN | BENZAC W | BENZAC | BENOXYL | BREVOXYL | VANOXIDE | BENZOYL PEROXIDE
Max Phase 4 (Approved)
Trade Names BENZAC | BENZAC W | PANOXYL | PERSA-GEL | BENOXYL | BREVOXYL | CLEAR BY DESIGN | VANOXIDE | ACNE-AID CREAM | EPI-CLEAR | LOROXIDE
Molecular Formula C14H10O4

Additional synonyms for CHEMBL1200370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(OOC(=O)c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5- ...
Download InChI
Standard InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200370

Molecule Features

CHEMBL1200370 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov BENZOYL PEROXIDE
The Cochrane Collaboration BENZOYL PEROXIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200370. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.205

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.437
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.297
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.242

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
242.2 242.0579 2.79 5 52.6 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.86 2.86 2 18 0.6

Structural Alerts

There are 9 structural alerts for CHEMBL1200370. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D10 - ANTI-ACNE PREPARATIONS
D10A - ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AE - Peroxides
D10AE01 - benzoyl peroxide

D - DERMATOLOGICALS
D10 - ANTI-ACNE PREPARATIONS
D10A - ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AE - Peroxides
D10AE51 - benzoyl peroxide, combinations

ChemSpider ChemSpider:OMPJBNCRMGITSC-UHFFFAOYSA-N
DailyMed benzoyl peroxide
PubChem SID: 170464986 SID: 26754472 SID: 29215306
Wikipedia Benzoyl_peroxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200370



ACToR 117989-71-6 94-36-0
Brenda 121019
ChEBI 82405
DrugBank DB09096
DrugCentral 328
eMolecules 474332
EPA CompTox Dashboard DTXSID6024591
FDA SRS W9WZN9A0GM
Human Metabolome Database HMDB0032040
IBM Patent System F849FAC1802ABE81F2C0629ACA7C8731
KEGG Ligand C19346
Mcule MCULE-5748985501
MolPort MolPort-001-783-287
Nikkaji J2.843F
NMRShiftDB 30095486
PubChem 7187
PubChem: Thomson Pharma 14823209
SureChEMBL SCHEMBL63
ZINC ZINC000000001016

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OMPJBNCRMGITSC-UHFFFAOYSA-N spacer
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