Compound Detail
CHEMBL206895
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O=C(O)Cc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL206895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPZGGRYUPKOGOI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
564.9
MW (Da)
8.92
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 540.0 | nM | 6.27 | Effect on human PPARdelta transactivation in 293T cells | 16546385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16546385 | 10.1016/j.bmcl.2006.02.079 | Peroxisome proliferator-activated receptor delta | 2 |
| 16546385 | 10.1016/j.bmcl.2006.02.079 | Peroxisome proliferator-activated receptor alpha | 1 |
| 16546385 | 10.1016/j.bmcl.2006.02.079 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine