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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2097002
CHEMBL2097002
Compound Name SELENIC ACID
ChEMBL Synonyms SODIUM SELENATE
Max Phase 0
Trade Names
Molecular Formula H2O4Se

Additional synonyms for CHEMBL2097002 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[Se](=O)(=O)O
Standard InChI InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)
Standard InChI Key QYHFIVBSNOWOCQ-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Scientific Literature
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2097002

Molecule Features

CHEMBL2097002 compound icon
Drug Type:Inorganic Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SELENIC ACID
The Cochrane Collaboration SELENIC ACID

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
145 145.9118 - - - -


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 CHEMBL2097002

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A12 - MINERAL SUPPLEMENTS
A12C - OTHER MINERAL SUPPLEMENTS
A12CE - Selenium
A12CE01 - sodium selenate

ChemSpider ChemSpider:QYHFIVBSNOWOCQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2097002



ACToR 7783-08-6 141676-86-0
BindingDB 50147596
ChEBI 18170
DrugBank DB11068
eMolecules 513843
EPA CompTox Dashboard DTXSID2064818
FDA SRS HV0Y51NC4J
Human Metabolome Database HMDB0062761
KEGG Ligand C05697
Metabolights MTBLC18170
Nikkaji J43.592I
PubChem 21713352 1089
PubChem: Thomson Pharma 15170829
SureChEMBL SCHEMBL35103

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