ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL447868
CHEMBL447868
Compound Name SODIUM SALICYLATE
ChEMBL Synonyms ALYSINE | SODIUM SALICYLATE | SOD SAL
Max Phase 4 (Approved)
Trade Names SOD SAL | 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
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome1ClinicalTrials
PainD010146EFO:0003843pain4ATC
LeukemiaD007938EFO:0000565leukemia1ClinicalTrials
FeverD005334HP:0001945fever4ATC
Myeloproliferative DisordersD009196EFO:0004251myeloproliferative disorder1ClinicalTrials

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
160.1 160.0136 - - - -


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
ChemicalBook CB1255762
eMolecules 31240446 491015
EPA CompTox Dashboard DTXSID5021708
FDA SRS WIQ1H85SYP
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
spacer