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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200712
CHEMBL1200712
Compound Name EVANS BLUE
ChEMBL Synonyms EVANS BLUE | AZOVAN BLUE | AZOVAN SODIUM
Max Phase 4 (Approved)
Trade Names EVANS BLUE
Molecular Formula C34H24N6Na4O14S4

Additional synonyms for CHEMBL1200712 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S( ...
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Standard InChI InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9- ...
Download InChI
Standard InChI Key ATNOAWAQFYGAOY-GPTZEZBUSA-J

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200712

Molecule Features

CHEMBL1200712 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

ClinicalTrials.gov EVANS BLUE
The Cochrane Collaboration EVANS BLUE

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
872.9 872.0546 6.23 9 392.94 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
20 8 4 20 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.87 - -.71 -7.21 6 58 0.05

Structural Alerts

There are 18 structural alerts for CHEMBL1200712. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ATNOAWAQFYGAOY-GPTZEZBUSA-J
PubChem SID: 144204480 SID: 144206788
Wikipedia Evans_blue

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200712



eMolecules 1971520 17497527
EPA CompTox Dashboard DTXSID9022815
FDA SRS 45PG892GO1
KEGG Ligand C19422
MolPort MolPort-003-983-568 MolPort-023-275-945
Nikkaji J1.522I
SureChEMBL SCHEMBL103701

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ATNOAWAQFYGAOY-GPTZEZBUSA-J spacer
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