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Compound Detail

CHEMBL611736

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CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CBr)nc4c(C(F)(F)F)cccn34)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL611736
Phase Preclinical
Structure Type MOL
InChI Key DTFHRWHNMZEOGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

525.4
MW (Da)
6.11
ALogP
5
HBA
0
HBD
60.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16BrF3N2O3S
MW 525.35
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.36

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