Compound Detail
CHEMBL207188
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Basic Information
| ChEMBL ID | CHEMBL207188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXKUFEBWUQXFEK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
4.73
ALogP
6
HBA
1
HBD
88.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.98
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
| Oxysterols receptor LXR-beta CHEMBL4093 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha | IC50 | = | 105.0 | nM | 6.98 | Inhibition of LXR alpha | 16529931 |
| Oxysterols receptor LXR-beta | IC50 | = | 630.0 | nM | 6.2 | Inhibition of LXR beta | 16529931 |
| Oxysterols receptor LXR-alpha | EC50 | = | 5000.0 | nM | 5.3 | Activity at LXR alpha as beta-lactamase transactivation in CHO cells | 16529931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16529931 | 10.1016/j.bmcl.2006.02.050 | Oxysterols receptor LXR-alpha | 2 |
| 16529931 | 10.1016/j.bmcl.2006.02.050 | Oxysterols receptor LXR-beta | 2 |
| 16529931 | 10.1016/j.bmcl.2006.02.050 | Peroxisome proliferator-activated receptor alpha | 1 |
| 16529931 | 10.1016/j.bmcl.2006.02.050 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine