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Compound Detail

CHEMBL82849

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C=C1CCC2CC1OO[C@@]2(C)CS(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82849
Phase Preclinical
Structure Type MOL
InChI Key AHJRFLWRENLSDT-BCLQGDPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.91
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.64
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 C16H20O4S
MW 308.40
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.12

Literature References

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

Data from ChEMBL 36 via Core Engine