Compound Detail
CHEMBL5775096
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CC(CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5775096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLJZDYOBXVOTSA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
596.1
MW (Da)
8.48
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 7.6 | 7.6 | 25.0 | 3 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 7.13 | 7.13 | 74.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 25.0 | nM | 7.6 | ligand sensing assay (LiSA): As used herein, reference to the activity of an LXR... | - |
| Oxysterols receptor LXR-beta | EC50 | = | 25.0 | nM | 7.6 | TBD: TBD | - |
| Oxysterols receptor LXR-beta | EC50 | = | 25.0 | nM | 7.6 | ligand sensing assay (LiSA): As used herein, reference to the activity of an LXR... | - |
| Oxysterols receptor LXR-alpha | EC50 | = | 74.0 | nM | 7.13 | ligand sensing assay (LiSA): As used herein, reference to the activity of an LXR... | - |
| Oxysterols receptor LXR-alpha | EC50 | = | 74.0 | nM | 7.13 | TBD: TBD | - |
| Oxysterols receptor LXR-alpha | EC50 | = | 74.0 | nM | 7.13 | ligand sensing assay (LiSA): As used herein, reference to the activity of an LXR... | - |
Data from ChEMBL 36 via Core Engine