Compound Detail
CHEMBL451889
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Cc1cc(C)c2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)n[nH]c2n1
Basic Information
| ChEMBL ID | CHEMBL451889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIUZIKMYVPKHET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
593.1
MW (Da)
8.35
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 510.0 | nM | 6.29 | Agonist activity at LXRbeta by FRET assay | 19167885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19167885 | 10.1016/j.bmcl.2009.01.004 | Oxysterols receptor LXR-beta | 2 |
| 19167885 | 10.1016/j.bmcl.2009.01.004 | Oxysterols receptor LXR-alpha | 1 |
| 19167885 | 10.1016/j.bmcl.2009.01.004 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine