Compound Detail
CHEMBL559567
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Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL559567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLJAGICJAKVSJO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.9
MW (Da)
6.24
ALogP
5
HBA
1
HBD
77.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human PPARgamma receptor expressed in african green monkey C... | 19530681 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human PPARgamma receptor by scintillation proximity assay | 19530681 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 350.0 | nM | 6.46 | Agonist activity at mouse PPARalpha receptor expressed in african green monkey C... | 19530681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19530681 | 10.1021/jm900367w | Peroxisome proliferator-activated receptor alpha | 3 |
| 19530681 | 10.1021/jm900367w | Peroxisome proliferator-activated receptor gamma | 3 |
Data from ChEMBL 36 via Core Engine