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Compound Detail

CHEMBL439407

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COc1ccc(CS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439407
Phase Preclinical
Structure Type MOL
InChI Key HGPAPYGVIXGNRI-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.21
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.82
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 C19H22O3S
MW 330.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.37

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