Compound Detail
CHEMBL425945
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Cc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL425945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDCHNYCJVBTPBK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
7.70
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 70.0 | nM | 7.16 | 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