Compound Detail
CHEMBL495173
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CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL495173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPFNQOKNVBGPTM-INIZCTEOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.3
MW (Da)
4.07
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 6.2 | 6.145 | 626.0 | 2 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 5.74 | 5.74 | 1820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 626.0 | nM | 6.2 | Agonist activity at LXRbeta ligand binding domain by FRET based SRC1 recruitment... | 19264481 |
| Oxysterols receptor LXR-beta | EC50 | = | 813.0 | nM | 6.09 | Agonist activity at human LXRbeta expressed in human SH-SY5Y cells co-transfecte... | 19264481 |
| Oxysterols receptor LXR-alpha | EC50 | = | 1820.0 | nM | 5.74 | 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 | 3 |
| 19264481 | 10.1016/j.bmcl.2009.02.039 | Oxysterols receptor LXR-alpha | 3 |
Data from ChEMBL 36 via Core Engine