Compound Detail
CHEMBL207198
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O=C(O)COc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL207198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZFVFCHVBDNYPD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
546.5
MW (Da)
8.10
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.79 | 5.79 | 1640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 110.0 | nM | 6.96 | Effect on human PPARdelta transactivation in 293T cells | 16546385 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1640.0 | nM | 5.79 | Effect on human PPARalpha 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