Compound Detail
CHEMBL521866
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Cc1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL521866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLCBKZPEUMOYQE-KRWDZBQOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
3.73
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 5.82 | 5.81 | 1500.0 | 2 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 5.71 | 5.505 | 1970.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 1500.0 | nM | 5.82 | Agonist activity at LXRbeta ligand binding domain by FRET based SRC1 recruitment... | 19264481 |
| Oxysterols receptor LXR-beta | EC50 | = | 1590.0 | nM | 5.8 | Agonist activity at human LXRbeta expressed in human SH-SY5Y cells co-transfecte... | 19264481 |
| Oxysterols receptor LXR-alpha | EC50 | = | 1970.0 | nM | 5.71 | Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitmen... | 19264481 |
| Oxysterols receptor LXR-alpha | EC50 | = | 5000.0 | nM | 5.3 | Agonist activity at human LXRalpha expressed in human SH-SY5Y cells co-transfect... | 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