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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1640
CHEMBL1640
Compound Name TRYPAN BLUE
ChEMBL Synonyms TRYPAN BLUE | Visionblue | MEMBRANEBLUE
Max Phase 4 (Approved)
Trade Names MEMBRANEBLUE | Visionblue
Molecular Formula C34H24N6Na4O14S4

Additional synonyms for CHEMBL1640 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S( ...
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Standard InChI InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27( ...
Download InChI
Standard InChI Key GLNADSQYFUSGOU-GPTZEZBUSA-J

Sources

  • Orange Book
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1640

Molecule Features

CHEMBL1640 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov TRYPAN BLUE
The Cochrane Collaboration TRYPAN 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
-1.53 2.39 -3.77 -10.27 6 58 0.05

Structural Alerts

There are 18 structural alerts for CHEMBL1640. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GLNADSQYFUSGOU-GPTZEZBUSA-J
DailyMed trypan blue
Wikipedia Trypan_blue

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1640



ChEBI 78897
DrugBank DB09158
FDA SRS I2ZWO3LS3M
KEGG Ligand C19307
Nikkaji J2.379E
PubChem: Thomson Pharma 14767673
SureChEMBL SCHEMBL9724

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