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Compound Detail

CHEMBL439229

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COc1ccc(/C=C/S(=O)(=O)Cc2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439229
Phase Preclinical
Structure Type MOL
InChI Key PGPPJTXQBPBDIT-VAWYXSNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.29
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O4S
MW 318.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.30

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