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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL485940
CHEMBL485940
Compound Name SULFAMETOMIDINE
ChEMBL Synonyms SULFAMETOMIDINE
Max Phase 0
Trade Names
Molecular Formula C12H14N4O3S

Additional synonyms for CHEMBL485940 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
Standard InChI InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)1 ...
Download InChI
Standard InChI Key QKLSCPPJEVXONT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL485940

Molecule Features

CHEMBL485940 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

Clinical Data

ClinicalTrials.gov SULFAMETOMIDINE
The Cochrane Collaboration SULFAMETOMIDINE

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 CHEMBL485940. 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 0.994
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.972
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.954
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.937
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.906
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.844
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.792
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.721
CHEMBL2331053 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 Homo sapiens 0.374
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 0.369



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.974
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.969
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.914
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.880
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.877
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.876
CHEMBL2331053 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 Homo sapiens 0.783
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.746
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.416
CHEMBL5695 Intestinal alkaline phosphatase Bos taurus 0.385
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.341
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.295

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
294.3 294.0787 1.18 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
7.01 4.02 1.54 -.34 2 20 0.82

Structural Alerts

There are 4 structural alerts for CHEMBL485940. 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
J01ED03 - sulfametomidine

ChemSpider ChemSpider:QKLSCPPJEVXONT-UHFFFAOYSA-N
PubChem SID: 144206847
Wikipedia Sulfametomidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL485940



ACToR 3772-76-7
ChEBI 32163
DrugCentral 2513
EPA CompTox Dashboard DTXSID0023616
FDA SRS 940ZL3AHKB
IBM Patent System 81008ADAF619A063412B27D14F2DBD5A
Nikkaji J9.584B
PubChem 19596
PubChem: Thomson Pharma 14898127
SureChEMBL SCHEMBL151238
ZINC ZINC000000002098

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