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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL832
CHEMBL832
Compound Name SULFINPYRAZONE
ChEMBL Synonyms SULFINPYRAZONE | ANTURAN | SULPHINPYRAZONE | ANTURANE
Max Phase 4 (Approved)
Trade Names ANTURANE | SULFINPYRAZONE | ANTURAN
Molecular Formula C23H20N2O3S

Additional synonyms for CHEMBL832 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][S+](CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20 ...
Download InChI
Standard InChI Key MBGGBVCUIVRRBF-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL832

Molecule Features

CHEMBL832 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Solute carrier family 22 member 12 inhibitor Solute carrier family 22 member 12 PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
GoutD006073EFO:0004274gout4ATC

Clinical Data

ClinicalTrials.gov SULFINPYRAZONE
The Cochrane Collaboration SULFINPYRAZONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL832. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.384

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2085 Macrophage migration inhibitory factor Homo sapiens 0.983
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.287
CHEMBL4503 Nociceptin receptor Rattus norvegicus 0.250

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
404.5 404.1195 3.8 6 57.69 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.75 - 1.89 -.61 3 29 0.59

Structural Alerts

There are 7 structural alerts for CHEMBL832. To view alerts please click here.

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M04 - ANTIGOUT PREPARATIONS
M04A - ANTIGOUT PREPARATIONS
M04AB - Preparations increasing uric acid excretion
M04AB02 - sulfinpyrazone

ChemSpider ChemSpider:MBGGBVCUIVRRBF-UHFFFAOYSA-N
PubChem SID: 11112139 SID: 124881954 SID: 144203882 SID: 170464677 SID: 26747070 SID: 46500625 SID: 855982
Wikipedia Sulfinpyrazone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL832



ACToR 57-96-5
Brenda 8421
ChEBI 9342
DrugBank DB01138
DrugCentral 2528
eMolecules 544393
EPA CompTox Dashboard DTXSID0023618
Guide to Pharmacology 5826
Human Metabolome Database HMDB0015269
IBM Patent System 9D937181C38BFC716ED5A4F2212C55CB
KEGG Ligand C07317
LINCS LSM-1491
Mcule MCULE-8521771467
MolPort MolPort-003-666-286
NIH Clinical Collection SAM002554932
Nikkaji J1.384F
PharmGKB PA451550
PubChem 5342
PubChem: Thomson Pharma 14879380
SureChEMBL SCHEMBL34421

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