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Compound Detail

CHEMBL595007

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CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595007
Phase Preclinical
Structure Type MOL
InChI Key ZNCGVAYTSJUTKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
6.21
ALogP
4
HBA
0
HBD
51.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F3N2O2S
MW 458.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
20005711 10.1016/j.bmcl.2009.11.098 Oxysterols receptor LXR-alpha 2
20005711 10.1016/j.bmcl.2009.11.098 Oxysterols receptor LXR-beta 2

Data from ChEMBL 36 via Core Engine