Compound Detail
CHEMBL4208321
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Basic Information
| ChEMBL ID | CHEMBL4208321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBICFNBLMNOMNL-KHPPLWFESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.1
MW (Da)
7.27
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL2417346 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 300.0 | nM | 6.52 | Agonist activity at mouse LXRbeta | 35033884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29398545 | 10.1016/j.bmcl.2017.12.024 | Oxysterols receptor LXR-beta | 2 |
| 29398545 | 10.1016/j.bmcl.2017.12.024 | Oxysterols receptor LXR-alpha | 1 |
| 35033884 | 10.1016/j.bmc.2022.116614 | No relevant target | 1 |
| 35033884 | 10.1016/j.bmc.2022.116614 | Oxysterols receptor LXR-beta | 1 |
Data from ChEMBL 36 via Core Engine