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Compound Detail

CHEMBL254847

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COc1ccc(CS(=O)(=O)/C=C/c2cc(OC)cc(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254847
Phase Preclinical
Structure Type MOL
InChI Key PSQDIQSUJQVEQI-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.30
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20O5S
MW 348.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
18088089 10.1021/jm701077b BT-20 1
18088089 10.1021/jm701077b DU-145 1
18088089 10.1021/jm701077b NON-PROTEIN TARGET 1
18088089 10.1021/jm701077b DLD-1 1

Data from ChEMBL 36 via Core Engine