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Compound Detail

CHEMBL196106

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C=CCOC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196106
Phase Preclinical
Structure Type MOL
InChI Key WJRBGHXSPIFNBU-RLLQIKCJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.13
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26O3
MW 314.43
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
16125384 10.1016/j.bmcl.2005.06.100 Oxysterols receptor LXR-alpha 4
16125384 10.1016/j.bmcl.2005.06.100 Oxysterols receptor LXR-beta 4

Data from ChEMBL 36 via Core Engine