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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL85398
CHEMBL85398
Compound Name THIAZOLIDINEDIONE
ChEMBL Synonyms Thiazolidine-2,4-Dione | Thiazolidinedione
Max Phase 0
Trade Names
Molecular Formula C3H3NO2S

Additional synonyms for CHEMBL85398 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CSC(=O)N1
Standard InChI InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
Standard InChI Key ZOBPZXTWZATXDG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL85398

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
117.1 116.9884 -0.03 0 46.17 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.5 - -.07 -.99 0 7 0.48

Structural Alerts

There are 2 structural alerts for CHEMBL85398. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZOBPZXTWZATXDG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL85398



ACToR 2295-31-0
Brenda 132135 19902 18785
ChEBI 50992
ChemicalBook CB6675365
DrugBank DB11898
eMolecules 502497
EPA CompTox Dashboard DTXSID5040623
FDA SRS AA68LXK93C
IBM Patent System F2C4824EBBB6A1CF517AB70412403F65
Mcule MCULE-8206580994
MolPort MolPort-000-421-409
Nikkaji J48.702C
PubChem 5437
PubChem: Thomson Pharma 14747535
SureChEMBL SCHEMBL5043
ZINC ZINC000008554292

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