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Compound Detail

CHEMBL413576

ERIOCHROME CYANINE R
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CC1=C/C(=C(/c2cc(C)c(O)c(C(=O)[O-])c2)c2ccccc2S(=O)(=O)[O-])C=C(C(=O)[O-])C1=O.[Na+].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL413576
Name ERIOCHROME CYANINE R
Phase Preclinical
Structure Type MOL
InChI Key FFUMCSDSJNSMQH-HEXQVDJKSA-K
Parent Compound CHEMBL1207518
Active Moiety CHEMBL1207518
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
2.99
ALogP
6
HBA
4
HBD
166.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15Na3O9S
MW 536.40
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
16759101 10.1021/jm050617x Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine