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Compound Detail

CHEMBL419106

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CC1(O)C2CC(C[C@H]1O)[C@@](C)(CS(=O)(=O)c1ccccc1)OO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419106
Phase Preclinical
Structure Type MOL
InChI Key DMDOMJXCFXRIQQ-RMMKIUIQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
1.07
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22O6S
MW 342.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.31

Literature References

PubMed DOI Target Context # Activities
12773055 10.1021/jm020584a Unchecked 1

Data from ChEMBL 36 via Core Engine