Compound Detail
CHEMBL425099
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Basic Information
| ChEMBL ID | CHEMBL425099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLCMRTMCMQJSKM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
6.15
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | IC50 | = | 107.0 | nM | 6.97 | Displacement of [3H]T-0901317 from human LXR beta receptor | 17034119 |
| Oxysterols receptor LXR-alpha | IC50 | = | 260.0 | nM | 6.58 | Displacement of [3H]T-0901317 from human LXR alpha receptor | 17034119 |
| Oxysterols receptor LXR-beta | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at human LXR beta receptor expressed in CHO cells by reporter a... | 17034119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034119 | 10.1021/jm0609566 | Oxysterols receptor LXR-beta | 3 |
| 17034119 | 10.1021/jm0609566 | Oxysterols receptor LXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine