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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1351474
CHEMBL1351474
Compound Name ACESULFAME POTASSIUM
ChEMBL Synonyms ACESULFAME POTASSIUM | E950
Max Phase 3
Trade Names
Molecular Formula C4H4KNO4S

Additional synonyms for CHEMBL1351474 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1
Standard InChI InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6) ...
Download InChI
Standard InChI Key WBZFUFAFFUEMEI-UHFFFAOYSA-M

Alternate Forms of Compound in ChEMBL


CHEMBL1351474

Molecule Features

CHEMBL1351474 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

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 CHEMBL1351474. 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
CHEMBL3081 Aldose reductase Bos taurus 0.241

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3081 Aldose reductase Bos taurus 0.300

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
163.2 162.9939 -0.86 0 80.84 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.28 - -.88 -2.88 0 10 0.5

Structural Alerts

There are 4 structural alerts for CHEMBL1351474. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WBZFUFAFFUEMEI-UHFFFAOYSA-M
PubChem SID: 144204552 SID: 144209621 SID: 17389209 SID: 26752766
Wikipedia Acesulfame_potassium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1351474



ACToR 55589-62-3
eMolecules 475769
EPA CompTox Dashboard DTXSID1030606
FDA SRS 23OV73Q5G9
MolPort MolPort-023-278-012 MolPort-003-925-376
Nikkaji J303.707J
PubChem 11074431 23683747
PubChem: Thomson Pharma 16143467 15195534
SureChEMBL SCHEMBL17454392

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