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Compound Detail

CHEMBL4085724

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

Basic Information

ChEMBL ID CHEMBL4085724
Phase Preclinical
Structure Type MOL
InChI Key QNGUYYIHXFGHRO-SWUBILCPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.7
MW (Da)
7.20
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.45
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 C29H48O2
MW 428.70
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.11

Literature References

PubMed DOI Target Context # Activities
28741954 10.1021/acs.jmedchem.7b00091 Oxysterols receptor LXR-alpha 1
28741954 10.1021/acs.jmedchem.7b00091 Oxysterols receptor LXR-beta 1

Data from ChEMBL 36 via Core Engine