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Compound Detail

CHEMBL594545

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COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cccc(Oc3cccc(-c4c(C(C)C)nc5c(Cl)cccn45)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594545
Phase Preclinical
Structure Type MOL
InChI Key GSJUIEZMUVQOLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

682.2
MW (Da)
8.98
ALogP
7
HBA
0
HBD
82.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H36ClN3O5S
MW 682.24
Aromatic Rings 6
Heavy Atoms 48
NP-Likeness -1.14

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