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Compound Detail

CHEMBL382792

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O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382792
Phase Preclinical
Structure Type MOL
InChI Key HTCRJPLMWKJJNZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.3
MW (Da)
3.80
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11F6NO3S
MW 399.31
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.16

Activity Summary

EC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oxysterols receptor LXR-alpha
CHEMBL2808
 EC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oxysterols receptor LXR-alpha EC50 = 4000.0 nM 5.4 Activity against LXR alpha transiently transfected in HEK293 cells 16386417

Literature References

PubMed DOI Target Context # Activities
16386417 10.1016/j.bmcl.2005.12.015 Oxysterols receptor LXR-alpha 2
24239186 10.1016/j.bmcl.2013.10.054 Nuclear receptor ROR-gamma 2

Data from ChEMBL 36 via Core Engine