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Compound Detail

CHEMBL1089901

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Cc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(-c2ccccc2S(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089901
Phase Preclinical
Structure Type MOL
InChI Key XRKIRPKDPBHBRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
5.69
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F3N2O2S
MW 442.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
20350005 10.1021/jm100034x Oxysterols receptor LXR-alpha 1
20350005 10.1021/jm100034x Oxysterols receptor LXR-beta 1

Data from ChEMBL 36 via Core Engine