Compound Detail
CHEMBL214465
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(O)c1ccc(COc2ccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL214465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNGPMNXTYUTTTK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
7.43
ALogP
4
HBA
1
HBD
76.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | IC50 | 6.14 | 6.14 | 723.0 | 1 |
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Oxysterols receptor LXR-beta CHEMBL4093 | IC50 | 5.56 | 5.56 | 2738.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha | IC50 | = | 723.0 | nM | 6.14 | Displacement of [3H]T-0901317 from human LXR alpha receptor | 17034119 |
| Oxysterols receptor LXR-beta | EC50 | = | 1500.0 | nM | 5.82 | Agonist activity at human LXR beta receptor expressed in CHO cells by reporter a... | 17034119 |
| Oxysterols receptor LXR-beta | IC50 | = | 2738.0 | nM | 5.56 | Displacement of [3H]T-0901317 from human LXR beta receptor | 17034119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034119 | 10.1021/jm0609566 | Oxysterols receptor LXR-beta | 3 |
| 17034119 | 10.1021/jm0609566 | Oxysterols receptor LXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine