Compound Detail
CHEMBL231527
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CCCC(=O)c1ccc(OC(COc2ccc(C(F)(F)F)cc2)CSc2ccc(OCC(=O)O)c(C)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL231527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWQIBOADRQLLDW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
7.08
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.62 | 7.62 | 23.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 23.9 | nM | 7.62 | Agonist activity at human PPARdelta receptor by cell based transactivation assay | 17524639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor delta | 2 |
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor gamma | 1 |
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine