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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL500826
CHEMBL500826
Compound Name SODIUM PROPIONATE
ChEMBL Synonyms SODIUM PROPIONATE | E281
Max Phase 2
Trade Names
Molecular Formula C3H5NaO2

Additional synonyms for CHEMBL500826 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CCC(=O)[O-]
Standard InChI InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
Standard InChI Key JXKPEJDQGNYQSM-UHFFFAOYSA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL500826

Molecule Features

CHEMBL500826 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DIABETES MELLITUSD003920EFO:0000400DIABETES MELLITUS2ClinicalTrials

Clinical Data

ClinicalTrials.gov SODIUM PROPIONATE
The Cochrane Collaboration SODIUM PROPIONATE

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 CHEMBL500826

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01A - ANTIINFECTIVES
S01AX - Other antiinfectives
S01AX10 - sodium propionate

ChemSpider ChemSpider:JXKPEJDQGNYQSM-UHFFFAOYSA-M
PubChem SID: 144206595 SID: 144209933
Wikipedia Sodium_propionate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL500826



ACToR 137-40-6
Brenda 21415
ChEBI 132106
eMolecules 486064
EPA CompTox Dashboard DTXSID7021996
FDA SRS 391O0PO49R
MolPort MolPort-003-927-296
Nikkaji J4.430J
PubChem 2723816
PubChem: Thomson Pharma 14747392
SureChEMBL SCHEMBL48908

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