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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200359
CHEMBL1200359
Compound Name SULFAMETER
ChEMBL Synonyms Ultrax | SULFAMETOXYDIAZINE | SULFAMETER | SULFAMETIN | AHR-857 | SULPHAMETHOXYDIAZINE | Bayrena | SULLA
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names Bayrena | Sulfametin | Sulfametoxydiazine | Ultrax | SULLA | Sulphamethoxydiazine
Molecular Formula C11H12N4O3S

Additional synonyms for CHEMBL1200359 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
Standard InChI InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4 ...
Download InChI
Standard InChI Key GPTONYMQFTZPKC-UHFFFAOYSA-N

Sources

  • Orange Book
  • 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  • Withdrawn Drugs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


CHEMBL1200359

Molecule Features

CHEMBL1200359 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First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1988
Country Germany
Reason
Class

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov SULFAMETER
The Cochrane Collaboration SULFAMETER

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 CHEMBL1200359. 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
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.959
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.957
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.918
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.797
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 0.642
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.520
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.452
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.399
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.238



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.923
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.920
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.912
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.865
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 0.864
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.390
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.376
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.226
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.212

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
6.58 1.48 .41 -.49 2 19 0.8

Structural Alerts

There are 4 structural alerts for CHEMBL1200359. 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
J01ED04 - sulfametoxydiazine

ChemSpider ChemSpider:GPTONYMQFTZPKC-UHFFFAOYSA-N
PubChem SID: 11112435 SID: 144204029 SID: 170465428 SID: 26748523 SID: 855817
Wikipedia Sulfametoxydiazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200359



ACToR 651-06-9
ChEBI 53727
ChemicalBook CB4147644
DrugBank DB06821
DrugCentral 2511
eMolecules 511873
EPA CompTox Dashboard DTXSID5023613
FDA SRS 3L179F09D6
IBM Patent System 1B9D2603EE0EE0E0BA90046DD39E4D91
LINCS LSM-6683
Mcule MCULE-7934329522
MolPort MolPort-001-838-192
Nikkaji J9.462E
NMRShiftDB 20209890
PubChem 5326
PubChem: Thomson Pharma 14897541
Selleck Sulfameter(Bayrena)
SureChEMBL SCHEMBL79417
ZINC ZINC000000049142

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