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Compound Detail

CHEMBL411675

EOSIN Y SODIUM
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O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL411675
Name EOSIN Y SODIUM
Phase Preclinical
Structure Type MOL
InChI Key SEACYXSIPDVVMV-UHFFFAOYSA-L
Parent Compound CHEMBL376503
Active Moiety CHEMBL376503
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

647.9
MW (Da)
7.02
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H6Br4Na2O5
MW 691.86
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.49

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17284452 10.1074/jbc.m608207200 Unchecked 3

Data from ChEMBL 36 via Core Engine