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Compound Detail

CHEMBL1091958

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O=C(c1ccccc1)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1091958
Phase Preclinical
Structure Type MOL
InChI Key SISXRZFAYYJKHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.9
MW (Da)
6.99
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21ClFNO
MW 429.92
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
20345102 10.1021/jm901797p Oxysterols receptor LXR-beta 1

Data from ChEMBL 36 via Core Engine