Compound Detail
CHEMBL231531
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(SCC(COc2ccc(C(F)(F)F)cc2)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL231531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMAFXMUKSGANBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
574.5
MW (Da)
7.36
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 17.0 | nM | 7.77 | 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