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Compound Detail

CHEMBL233571

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CC(C)(C)OC(=O)n1c(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233571
Phase Preclinical
Structure Type MOL
InChI Key CLECJEAZJQUVHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
5.57
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O4S
MW 462.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.09

Activity Summary

EC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oxysterols receptor LXR-beta
CHEMBL4093
 EC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oxysterols receptor LXR-beta EC50 = 220.0 nM 6.66 Agonist activity at human LXRbeta receptor after 1 hr by HTRF cofactor recruitme... 17587573

Literature References

PubMed DOI Target Context # Activities
17587573 10.1016/j.bmcl.2007.06.017 Oxysterols receptor LXR-beta 1

Data from ChEMBL 36 via Core Engine