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Compound Detail

CHEMBL1797801

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CCOC(=S)S/C(C(=O)/C=C/c1ccc(OC)c(OC)c1)=C(O)\C=C\c1ccc(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1797801
Phase Preclinical
Structure Type MOL
InChI Key QZLWWLNQEVOEGJ-UJCWQVJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
5.84
ALogP
9
HBA
1
HBD
83.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28O7S2
MW 516.64
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
21601463 10.1016/j.bmc.2011.04.055 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine