ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1437847
CHEMBL1437847
Compound Name SULFAQUINOXALINE
ChEMBL Synonyms SULFAQUINOXALINE
Max Phase 0
Trade Names
Molecular Formula C14H12N4O2S

Additional synonyms for CHEMBL1437847 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2
Standard InChI InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-1 ...
Download InChI
Standard InChI Key NHZLNPMOSADWGC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1437847

Molecule Features

CHEMBL1437847 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 SULFAQUINOXALINE
The Cochrane Collaboration SULFAQUINOXALINE

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 CHEMBL1437847. 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 0.752
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.578
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 0.490
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.266
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.260

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.772
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.560
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.539
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.431
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.361
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 0.254

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
300.3 300.0681 2.01 3 97.97 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.65 1.99 1.43 .34 3 21 0.72

Structural Alerts

There are 4 structural alerts for CHEMBL1437847. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NHZLNPMOSADWGC-UHFFFAOYSA-N
PubChem SID: 144203578 SID: 144211211 SID: 170465653 SID: 26665745 SID: 4252936 SID: 96536

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1437847



ACToR 59-40-5
Brenda 23507
ChEBI 94719
eMolecules 510213
EPA CompTox Dashboard DTXSID8042424
FDA SRS WNW8115TM9
Human Metabolome Database HMDB0033139
IBM Patent System 9EF9270C1CF4F91FBC13204DABB7A1EC
LINCS LSM-5791
Mcule MCULE-3339443865
MolPort MolPort-003-247-549
Nikkaji J4.601I
PubChem 5338
PubChem: Thomson Pharma 14849539
SureChEMBL SCHEMBL93789
ZINC ZINC000000002106

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