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Compound Detail

CHEMBL492563

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CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(CCC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492563
Phase Preclinical
Structure Type MOL
InChI Key JOGPAHVMRGIBSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.9
MW (Da)
3.43
ALogP
5
HBA
3
HBD
124.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClF3N2O6S
MW 508.90
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
19264481 10.1016/j.bmcl.2009.02.039 Oxysterols receptor LXR-beta 2
19264481 10.1016/j.bmcl.2009.02.039 Oxysterols receptor LXR-alpha 2

Data from ChEMBL 36 via Core Engine