Compound Detail
CHEMBL242293
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O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL242293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWYOSSYNDBCVIR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
5.24
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.8
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 15.85 | nM | 7.8 | Antagonist activity at human PXR by transient transfection assay | 17215127 |
| Nuclear receptor subfamily 1 group I member 2 | IC50 | = | 63.1 | nM | 7.2 | Displacement of [N-methyl-3H]GW0438X from human PXR | 17215127 |
| Oxysterols receptor LXR-beta | EC50 | = | 3162.28 | nM | 5.5 | Antagonist activity at human LXRbeta by transient transfection assay | 17215127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17215127 | 10.1016/j.bmc.2006.12.026 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 17215127 | 10.1016/j.bmc.2006.12.026 | Oxysterols receptor LXR-beta | 2 |
Data from ChEMBL 36 via Core Engine