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Compound Detail

CHEMBL604703

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CN(C)Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604703
Phase Preclinical
Structure Type MOL
InChI Key XUYDVGGQPPZCPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
5.15
ALogP
5
HBA
0
HBD
54.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22F3N3O2S
MW 473.52
Aromatic Rings 4
Heavy Atoms 33
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