Compound Detail
CHEMBL427697
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Basic Information
| ChEMBL ID | CHEMBL427697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LORGBPUOJISMFM-HSZRJFAPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
492.9
MW (Da)
6.02
ALogP
5
HBA
0
HBD
51.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 7.2 | 7.185 | 63.0 | 2 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 6.46 | 6.13 | 346.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 63.0 | nM | 7.2 | Activity at human LXRbeta by Gal4 transactivation assay | 17665897 |
| Oxysterols receptor LXR-beta | EC50 | = | 67.0 | nM | 7.17 | Agonist activity at GAL-linked human LXRbeta expressed in THP1 cells assessed as... | 17665897 |
| Oxysterols receptor LXR-alpha | EC50 | = | 346.0 | nM | 6.46 | Activity at human LXRalpha by Gal4 transactivation assay | 17665897 |
| Oxysterols receptor LXR-alpha | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at GAL-linked human LXRalpha expressed in THP1 cells assessed a... | 17665897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665897 | 10.1021/jm070453f | Oxysterols receptor LXR-beta | 5 |
| 17665897 | 10.1021/jm070453f | Oxysterols receptor LXR-alpha | 5 |
| 17665897 | 10.1021/jm070453f | THP-1 | 2 |
| 17665897 | 10.1021/jm070453f | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine