ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1089641
CHEMBL1089641
Compound Name TRYPAN BLUE
ChEMBL Synonyms VISIONBLUE | TRYPAN BLUE | MEMBRANEBLUE
Max Phase 4 (Approved)
Trade Names VISIONBLUE | MEMBRANEBLUE
Molecular Formula C34H28N6O14S4

Additional synonyms for CHEMBL1089641 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c4cc ...
Download SMILES
Standard InChI InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(4 ...
Download InChI
Standard InChI Key ZBNARPCCDMHDDV-HVMBLDELSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1089641

Molecule Features

CHEMBL1089641 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 6.67 9 359.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 8 4 20 10 4


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-1.57 2.27 -3.77 -10.27 6 58 0.04

Structural Alerts

There are 18 structural alerts for CHEMBL1089641. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZBNARPCCDMHDDV-HVMBLDELSA-N
DailyMed trypan blue
PubChem SID: 50112808

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1089641



ChEBI 78900
DrugBank DB09158
DrugCentral 4608
eMolecules 27678742
FDA SRS 768N7QO4KH
Nikkaji J1.391.288B
SureChEMBL SCHEMBL15497820
ZINC ZINC000169289767

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