Compound Detail
CHEMBL471641
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
Cc1cc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n[nH]1
Basic Information
| ChEMBL ID | CHEMBL471641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLMNPTOCKBOBJT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.0
MW (Da)
7.49
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 15.0 | nM | 7.82 | Agonist activity at LXRbeta by FRET assay | 19167885 |
| Oxysterols receptor LXR-alpha | EC50 | = | 23.0 | nM | 7.64 | Agonist activity at LXRalpha by FRET assay | 19167885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19167885 | 10.1016/j.bmcl.2009.01.004 | Oxysterols receptor LXR-alpha | 2 |
| 19167885 | 10.1016/j.bmcl.2009.01.004 | Oxysterols receptor LXR-beta | 2 |
| 19167885 | 10.1016/j.bmcl.2009.01.004 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine