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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL62381
CHEMBL62381
Compound Name SODIUM BUTYRATE
ChEMBL Synonyms SODIUM BUTYRATE
Max Phase 2
Trade Names
Molecular Formula C4H7NaO2

Additional synonyms for CHEMBL62381 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CCCC(=O)[O-]
Standard InChI InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p- ...
Download InChI
Standard InChI Key MFBOGIVSZKQAPD-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL62381

Molecule Features

CHEMBL62381 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
Dysentery, BacillaryD004405EFO:0005585shigellosis2ClinicalTrials

Clinical Data

ClinicalTrials.gov SODIUM BUTYRATE
The Cochrane Collaboration SODIUM BUTYRATE

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
110.1 110.0344 - - - -


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 CHEMBL62381

Compound Cross References

ChemSpider ChemSpider:MFBOGIVSZKQAPD-UHFFFAOYSA-M
PubChem SID: 144206103 SID: 563607
Wikipedia Sodium_butyrate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL62381



ACToR 156-54-7 62327-34-8 15904-95-7
Brenda 6098
ChEBI 64103
ChemicalBook CB7391358
eMolecules 514146 29914538
EPA CompTox Dashboard DTXSID3037672
FDA SRS 8RAS91C36W
MolPort MolPort-001-770-270
Nikkaji J21.150H
PubChem 5222465
PubChem: Drugs of the Future 12014931
PubChem: Thomson Pharma 15297044
Selleck Sodium-butyrate
SureChEMBL SCHEMBL30148

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