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Compound Detail

CHEMBL1095715

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CS(=O)(=O)c1ccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095715
Phase Preclinical
Structure Type MOL
InChI Key BZROSBGJVTZPAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
5.99
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.40
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 C23H16F3NO2S
MW 427.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.95

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.5 hr Rattus norvegicus
T1/2 0.5 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
20382019 10.1016/j.bmcl.2010.03.031 Oxysterols receptor LXR-beta 2
20382019 10.1016/j.bmcl.2010.03.031 Liver microsomes 2
20382019 10.1016/j.bmcl.2010.03.031 Oxysterols receptor LXR-alpha 1

Data from ChEMBL 36 via Core Engine