Compound Detail
CHEMBL397612
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
Basic Information
| ChEMBL ID | CHEMBL397612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKCFFUAMLVRSKU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
5.11
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.70
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 6.66 | 6.0 | 220.0 | 2 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 5.94 | 5.94 | 1150.0 | 1 |
| THP-1 CHEMBL614245 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at human LXRbeta receptor after 1 hr by HTRF cofactor recruitme... | 17587573 |
| Oxysterols receptor LXR-alpha | EC50 | = | 1150.0 | nM | 5.94 | Agonist activity at human LXRalpha receptor after 1 hr by HTRF cofactor recruitm... | 17587573 |
| Oxysterols receptor LXR-beta | EC50 | = | 4580.0 | nM | 5.34 | Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hr... | 17587573 |
| THP-1 | EC50 | = | 7000.0 | nM | 5.16 | Induction of cholesterol efflux in THP1 cells | 17587573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17587573 | 10.1016/j.bmcl.2007.06.017 | Oxysterols receptor LXR-beta | 3 |
| 17587573 | 10.1016/j.bmcl.2007.06.017 | THP-1 | 3 |
| 17587573 | 10.1016/j.bmcl.2007.06.017 | HepG2 | 2 |
| 17587573 | 10.1016/j.bmcl.2007.06.017 | Oxysterols receptor LXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine