Compound Detail
CHEMBL254335
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(c1ccccc1)c1cnc2c(C(F)(F)F)ccc(-c3cccc(OCc4ccc(C(Cc5ccc(-c6ccccc6)cc5)C(=O)O)cc4)c3)c2c1
Basic Information
| ChEMBL ID | CHEMBL254335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNNYNSPBJXNYMZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
707.8
MW (Da)
10.81
ALogP
4
HBA
1
HBD
76.5
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | IC50 | 6.33 | 6.33 | 473.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | IC50 | 6.28 | 6.28 | 528.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | IC50 | = | 473.0 | nM | 6.33 | Binding affinity at human LXRbeta | 18023179 |
| Oxysterols receptor LXR-alpha | IC50 | = | 528.0 | nM | 6.28 | Binding affinity at human LXRalpha | 18023179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18023179 | 10.1016/j.bmcl.2007.11.013 | Oxysterols receptor LXR-beta | 1 |
| 18023179 | 10.1016/j.bmcl.2007.11.013 | Oxysterols receptor LXR-alpha | 1 |
| 18023179 | 10.1016/j.bmcl.2007.11.013 | Liver X receptor (LXR alpha AND LXR beta) | 1 |
Data from ChEMBL 36 via Core Engine