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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL424
CHEMBL424
Compound Name SALICYLIC ACID
ChEMBL Synonyms DUOFILM WART REMOVER | SALIGEL | DR. SCHOLL'S CORN REMOVERS | IONIL | ADVANCED PAIN RELIEF COM REMOVERS | SALICYLIC ACID SOAP | IONIL-PLUS | FREEZONE | SALICYLIC ACID | DUOPLANT | ADVANCED PAIN RELIEF CALLUS REMOVERS | CLEAR AWAY WART REMOVER | DR. SCHOLL'S WART REMOVER KIT | 2-HYDROXY-BENZOIC ACID | STRI-DEX | COMPOUND W | DR. SCHOLL'S CALLUS REMOVERS
Max Phase 4 (Approved)
Trade Names IONIL | DR. SCHOLL'S CORN REMOVERS | DUOFILM WART REMOVER | FREEZONE | IONIL-PLUS | DUOPLANT | ADVANCED PAIN RELIEF COM REMOVERS | ADVANCED PAIN RELIEF CALLUS REMOVERS | CLEAR AWAY WART REMOVER | COMPOUND W | DR. SCHOLL'S CALLUS REMOVERS | SALIGEL | STRI-DEX | DR. SCHOLL'S WART REMOVER KIT | SALICYLIC ACID SOAP
Molecular Formula C7H6O3

Additional synonyms for CHEMBL424 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccccc1O
Standard InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
Standard InChI Key YGSDEFSMJLZEOE-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • FDA Approval Packages
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL424

Molecule Features

CHEMBL424 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:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
WARTSD014860HP:0200043VERRUCAE2ClinicalTrials
MELANOSISD008548EFO:0003963FRECKLES0ClinicalTrials
PSORIASISD011565EFO:0000676PSORIASIS2ClinicalTrials
CARDIOVASCULAR DISEASESD002318EFO:0000319CARDIOVASCULAR DISEASE1ClinicalTrials
EYE DISEASESD005128EFO:0005752EYE INFLAMMATION4ATC

Clinical Data

ClinicalTrials.gov SALICYLIC ACID
The Cochrane Collaboration SALICYLIC ACID

Metabolites for CHEMBL424

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
138.1 138.0317 1.22 1 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.01 - 2.01 -1.14 1 10 0.61

Structural Alerts

There are no structural alerts for CHEMBL424

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AE - Other antifungals for topical use
D01AE12 - salicylic acid

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01B - ANTIINFLAMMATORY AGENTS
S01BC - Antiinflammatory agents, non-steroids
S01BC08 - salicylic acid

ChemSpider ChemSpider:YGSDEFSMJLZEOE-UHFFFAOYSA-N
PubChem SID: 124893592 SID: 144207002 SID: 144208669 SID: 144213426 SID: 29215390 SID: 8139912
Wikipedia Salicylic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL424



ACToR 69-72-7
Atlas salicylic acid
BindingDB 26193
Brenda 765 24601 21658 5097 47420 90999 617 145569
ChEBI 16914
DrugBank DB00936
DrugCentral 2416
eMolecules 478035
EPA CompTox Dashboard DTXSID7026368
FDA SRS O414PZ4LPZ
Guide to Pharmacology 4306
Human Metabolome Database HMDB0001895
IBM Patent System 3C5EFAACEA9F720752140F53355EC5D9
KEGG Ligand C00805
LINCS LSM-4763
Mcule MCULE-8407868694
Metabolights MTBLC16914
Nikkaji J2.370A
NMRShiftDB 10008793
PDBe SAL
PharmGKB PA451299
PubChem 118212070 338
PubChem: Thomson Pharma 14747739
SureChEMBL SCHEMBL16880297 SCHEMBL1967
ZINC ZINC000000001554

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