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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1627056
CHEMBL1627056
Compound Name DISUFENTON SODIUM
ChEMBL Synonyms NXY-059 | DISUFENTON SODIUM
Max Phase 0
Trade Names
Molecular Formula C11H13NNa2O7S2

Additional synonyms for CHEMBL1627056 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].CC(C)(C)\[N+](=C\c1ccc(cc1S(=O)(=O)[O-])S(=O)(=O ...
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Standard InChI InChI=1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15) ...
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Standard InChI Key XLZOVRYBVCMCGL-BPNVQINPSA-L

Alternate Forms of Compound in ChEMBL


CHEMBL1627056

Molecule Features

CHEMBL1627056 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

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
337.4 337.029 0.52 4 154.24 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.15 6.82 7.52 4.63 1 21 0.27

Structural Alerts

There are 12 structural alerts for CHEMBL1627056. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XLZOVRYBVCMCGL-BPNVQINPSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1627056



ACToR 168021-79-2
MolPort MolPort-005-942-383
Nikkaji J1.492.076E
PubChem 49867944 6440181
PubChem: Drugs of the Future 12015182
PubChem: Thomson Pharma 14877965
Selleck NXY-059
SureChEMBL SCHEMBL678345

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XLZOVRYBVCMCGL-BPNVQINPSA-L spacer
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