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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104921
CHEMBL2104921
Compound Name SULFAMAZONE
ChEMBL Synonyms SULFAMAZONE
Max Phase 0
Trade Names
Molecular Formula C23H24N6O7S2

Additional synonyms for CHEMBL2104921 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(C3=C(C)N(C)N(C3=O)c4ccccc4)S(=O)( ...
Download SMILES
Standard InChI InChI=1S/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8 ...
Download InChI
Standard InChI Key BGLHAKAJGYLSOX-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2104921

Molecule Features

CHEMBL2104921 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SULFAMAZONE
The Cochrane Collaboration SULFAMAZONE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2104921. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.618

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
560.6 560.1148 2.11 9 187.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 3 2 13 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.19 3.19 -2.1 -5.96 3 38 0.33

Structural Alerts

There are 5 structural alerts for CHEMBL2104921. 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
J01ED09 - sulfamazone

ChemSpider ChemSpider:BGLHAKAJGYLSOX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104921



ACToR 65761-24-2
ChEBI 131763
DrugCentral 2509
Nikkaji J20.455B
PubChem 187764
PubChem: Thomson Pharma 15506828
SureChEMBL SCHEMBL418076

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