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Compound Detail

CHEMBL1089231

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CNC(=O)c1cccc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4nc3C)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089231
Phase Preclinical
Structure Type MOL
InChI Key YXPHNVAVTJHENT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
5.65
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.47
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 C24H18F3N3O
MW 421.42
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.06

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