Compound Detail
CHEMBL521811
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COC(=O)CCc1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL521811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWUARVFFASOWHD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.9
MW (Da)
3.52
ALogP
6
HBA
2
HBD
113.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 3500.0 | nM | 5.46 | Agonist activity at LXRbeta ligand binding domain by FRET based SRC1 recruitment... | 19264481 |
| Oxysterols receptor LXR-alpha | EC50 | = | 3500.0 | nM | 5.46 | Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitmen... | 19264481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19264481 | 10.1016/j.bmcl.2009.02.039 | Oxysterols receptor LXR-beta | 2 |
| 19264481 | 10.1016/j.bmcl.2009.02.039 | Oxysterols receptor LXR-alpha | 2 |
Data from ChEMBL 36 via Core Engine