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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL447868
CHEMBL447868
Compound Name SODIUM SALICYLATE
ChEMBL Synonyms ALYSINE | SODIUM SALICYLATE
Max Phase 4 (Approved)
Trade Names ALYSINE
Molecular Formula C7H5NaO3

Additional synonyms for CHEMBL447868 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].Oc1ccccc1C(=O)[O-]
Standard InChI InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10) ...
Download InChI
Standard InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL447868

Molecule Features

CHEMBL447868 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown 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
FEVERD005334HP:0001945FEVER4ATC
PAIND010146EFO:0003843PAIN4ATC

Clinical Data

ClinicalTrials.gov SODIUM SALICYLATE
The Cochrane Collaboration SODIUM SALICYLATE

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
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL447868

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BA - Salicylic acid and derivatives
N02BA04 - sodium salicylate

ChemSpider ChemSpider:ABBQHOQBGMUPJH-UHFFFAOYSA-M
PubChem SID: 144207609 SID: 26748246
Wikipedia Sodium_salicylate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL447868



ACToR 54-21-7 18495-69-7
Brenda 25215
ChEBI 9180
eMolecules 491015 31240446
EPA CompTox Dashboard DTXSID5021708
FDA SRS WIQ1H85SYP
Human Metabolome Database HMDB0015470
KEGG Ligand C07587
MolPort MolPort-002-324-170
Nikkaji J4.152A
PubChem 23698465 16760658
PubChem: Thomson Pharma 14772420
SureChEMBL SCHEMBL4603

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