Compound Detail
CHEMBL61766
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NC(=O)Cc1cccc(OCCCN(Cc2ccc(F)c(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL61766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMGCJZBZVMGBQN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
564.6
MW (Da)
6.98
ALogP
3
HBA
1
HBD
55.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 7.07 | 6.55 | 85.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha | EC50 | = | 85.0 | nM | 7.07 | Ligand-dependent recruitment of steroid receptor co-activator 1 (SRC1) to Liver ... | 11985463 |
| Oxysterols receptor LXR-alpha | EC50 | = | 945.0 | nM | 6.03 | Effective concentration in LXR alpha-Gal4 receptor gene assay | 11985463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11985463 | 10.1021/jm0255116 | Oxysterols receptor LXR-alpha | 4 |
Data from ChEMBL 36 via Core Engine