ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1371409
CHEMBL1371409
Compound Name E110
ChEMBL Synonyms E110
Max Phase 0
Trade Names
Molecular Formula C16H10N2Na2O7S2

Additional synonyms for CHEMBL1371409 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].Oc1ccc2cc(ccc2c1N=Nc3ccc(cc3)S(=O)(=O)[O-])S(=O) ...
Download SMILES
Standard InChI InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7 ...
Download InChI
Standard InChI Key OIQPTROHQCGFEF-QIKYXUGXSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1371409

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
408.4 408.0086 3.53 4 170.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-1.16 - -.7 -5.2 3 27 0.43

Structural Alerts

There are 12 structural alerts for CHEMBL1371409. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OIQPTROHQCGFEF-QIKYXUGXSA-L
PubChem SID: 144209095 SID: 144210725 SID: 26757606
Wikipedia Sunset_Yellow_FCF

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1371409



ACToR 15790-07-5 2783-94-0
Brenda 63132 153258
ChEBI 82538
eMolecules 17497724
EPA CompTox Dashboard DTXSID6021456
FDA SRS H77VEI93A8
KEGG Ligand C19531
MolPort MolPort-003-933-708
Nikkaji J1.253J
PubChem: Thomson Pharma 14931118
SureChEMBL SCHEMBL142458

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