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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1525826
CHEMBL1525826
Compound Name SULFALENE
ChEMBL Synonyms SULFAMETOPYRAZINE | LONGUM | SULFAMETHOPYRAZINE | KELFIZINE W | KELFIZINA | SULFALENE
Max Phase 4 (Approved)
Trade Names KELFIZINA | LONGUM | KELFIZINE W
Molecular Formula C11H12N4O3S

Additional synonyms for CHEMBL1525826 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1nccnc1NS(=O)(=O)c2ccc(N)cc2
Standard InChI InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9- ...
Download InChI
Standard InChI Key KXRZBTAEDBELFD-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Manually Added Drugs
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1525826

Molecule Features

CHEMBL1525826 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial dihydropteroate synthase inhibitor Bacterial dihydropteroate synthase PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MalariaD008288EFO:0001068malaria3ClinicalTrials

Clinical Data

ClinicalTrials.gov SULFALENE
The Cochrane Collaboration SULFALENE

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 CHEMBL1525826. 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
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.993
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.949
CHEMBL3267 PI3-kinase p110-gamma subunit Homo sapiens 0.921
CHEMBL4130 Endothelin receptor ET-A Sus scrofa 0.776
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 0.691
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.322
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 0.253



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.995
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.876
CHEMBL3267 PI3-kinase p110-gamma subunit Homo sapiens 0.569
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 0.524
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.321

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
280.3 280.063 0.87 4 107.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.61 1.46 .88 -.35 2 19 0.8

Structural Alerts

There are 4 structural alerts for CHEMBL1525826. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01E - SULFONAMIDES AND TRIMETHOPRIM
J01ED - Long-acting sulfonamides
J01ED02 - sulfalene

ChemSpider ChemSpider:KXRZBTAEDBELFD-UHFFFAOYSA-N
PubChem SID: 144205397 SID: 170465930 SID: 50086577

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1525826



ACToR 152-47-6 5175-55-3
ChEBI 32162
DrugBank DB00664
DrugCentral 2517
eMolecules 736456
EPA CompTox Dashboard DTXSID2046179
FDA SRS T6BL4ZC15G
Human Metabolome Database HMDB0014802
IBM Patent System 66BC8C4F082636E6644D4BEF76C618AD
KEGG Ligand C12616
Mcule MCULE-9934333099
MolPort MolPort-002-320-006
Nikkaji J3.271I
PharmGKB PA164747038
PubChem 9047
PubChem: Thomson Pharma 14799628
SureChEMBL SCHEMBL28404
ZINC ZINC000000002097

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