Compound Detail
CHEMBL210469
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Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL210469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKICTBITKAPJOB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
3
PK Parameters
8
Publications
0
Known Names
Molecular Properties
560.5
MW (Da)
8.41
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.0 | 8.0 | 10.0 | 2 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.48 | 5.48 | 3330.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 4000.0 | nM | Mus musculus |
| F | 50.0 | % | Mus musculus |
| T1/2 | 3.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 10.0 | nM | 8.0 | Effect on human PPARdelta transactivation in 293T cells | 16546385 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at human PPARdelta ligand binding domain expressed in human 293... | 19928766 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3330.0 | nM | 5.48 | Effect on human PPARalpha transactivation in 293T cells | 16546385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16546385 | 10.1016/j.bmcl.2006.02.079 | Mus musculus | 4 |
| 16546385 | 10.1016/j.bmcl.2006.02.079 | Peroxisome proliferator-activated receptor delta | 2 |
| 16546385 | 10.1016/j.bmcl.2006.02.079 | Liver microsomes | 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 |
| 19928766 | 10.1021/jm9007399 | Peroxisome proliferator-activated receptor alpha | 1 |
| 19928766 | 10.1021/jm9007399 | Peroxisome proliferator-activated receptor gamma | 1 |
| 19928766 | 10.1021/jm9007399 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine