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Compound Detail

CHEMBL4452935

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C[C@H](C[C@@H]1CCCN(C)C1=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452935
Phase Preclinical
Structure Type MOL
InChI Key RMGSPNCVNICDCX-WEBRBZGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.7
MW (Da)
5.82
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H45NO2
MW 427.67
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.05

Literature References

PubMed DOI Target Context # Activities
30952591 10.1016/j.bmcl.2019.03.051 Oxysterols receptor LXR-beta 2

Data from ChEMBL 36 via Core Engine