Compound Detail
CHEMBL219626
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Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL219626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOKLODYFAVGQRH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
5.19
ALogP
6
HBA
2
HBD
97.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 4.0 | nM | 8.4 | Agonist potency at PPARalpha in CV1 cells by cell based transient transfection a... | 17243659 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 4600.0 | nM | 5.34 | Agonist potency at PPARdelta in CV1 cells by cell based transient transfection a... | 17243659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor alpha | 2 |
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor delta | 2 |
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine