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Compound Detail

CHEMBL4164116

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Cc1ccc([S@+]([O-])C2=C(Cl)C(=O)C=CC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4164116
Phase Preclinical
Structure Type MOL
InChI Key HWWXCNJEKGTNSC-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

280.7
MW (Da)
2.26
ALogP
3
HBA
0
HBD
57.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9ClO3S
MW 280.73
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
30108693 10.1039/C6MD00392C Hep 3B2 4
30108693 10.1039/C6MD00392C Huh-7 4
30108693 10.1039/C6MD00392C Mahlavu 3
30108693 10.1039/C6MD00392C SNU-475 3

Data from ChEMBL 36 via Core Engine