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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL268869
CHEMBL268869
Compound Name SULFAMETHOXYPYRIDAZINE
ChEMBL Synonyms LEDERKYN | SULFAMETHOXYPYRIDAZINE | SULPHAMETHOXYPYRIDAZINE | SUCCINYLSULFATHI | MIDICEL | SULFASUXIDINE
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names SUCCINYLSULFATHI | LEDERKYN | SULFASUXIDINE | MIDICEL
Molecular Formula C11H12N4O3S

Additional synonyms for CHEMBL268869 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
Standard InChI InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9- ...
Download InChI
Standard InChI Key VLYWMPOKSSWJAL-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL268869

Molecule Features

CHEMBL268869 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1986
Country United Kingdom
Reason
Class

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov SULFAMETHOXYPYRIDAZINE
The Cochrane Collaboration SULFAMETHOXYPYRIDAZINE

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 CHEMBL268869. 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
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.991
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.900
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.892
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.852
CHEMBL6120 Solute carrier family 22 member 12 Homo sapiens 0.783
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 0.700
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.693
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.461
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.441
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.389
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.336
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.239



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.981
CHEMBL6120 Solute carrier family 22 member 12 Homo sapiens 0.959
CHEMBL5695 Intestinal alkaline phosphatase Bos taurus 0.921
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.875
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.803
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 0.597
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.580
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.517
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.509
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.450
CHEMBL3457 Kynurenine 3-monooxygenase Rattus norvegicus 0.439
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.384
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.358
CHEMBL5631 Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis 0.286
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.226

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
7.19 3.54 .32 -.45 2 19 0.8

Structural Alerts

There are 4 structural alerts for CHEMBL268869. 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
J01ED05 - sulfamethoxypyridazine

ChemSpider ChemSpider:VLYWMPOKSSWJAL-UHFFFAOYSA-N
PubChem SID: 11112213 SID: 144203924 SID: 170466374 SID: 7971832 SID: 855697
Wikipedia Sulfamethoxypyridazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL268869



ACToR 80-35-3
Brenda 11268
ChEBI 102516
ChemicalBook CB1107025
DrugCentral 2515
eMolecules 631768
EPA CompTox Dashboard DTXSID5023611
FDA SRS T034E4NS2Z
IBM Patent System 4FB7CCD324F187B7B1D8E9EA2065837C
LINCS LSM-5204
Mcule MCULE-1902045342
MolPort MolPort-000-697-322
Nikkaji J9.115D
PubChem 5330
PubChem: Thomson Pharma 14872997
SureChEMBL SCHEMBL93617
ZINC ZINC000000049141

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