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Compound Detail

CHEMBL235238

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Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)[C@H]4CC=C5[C@@H]6[C@@H](C)[C@H](C)CC[C@]6(C(=O)OCc6ccccc6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C(C)(C)[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235238
Phase Preclinical
Structure Type MOL
InChI Key WCAGOCWDAXAQCW-BOZMWTJJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

717.0
MW (Da)
9.44
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H60O6S
MW 717.03
Aromatic Rings 2
Heavy Atoms 51
NP-Likeness 1.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17869102 10.1016/j.bmcl.2007.08.057 Unchecked 1

Data from ChEMBL 36 via Core Engine