Compound Detail
CHEMBL5268912
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COCCOCc1cc(F)ccc1CNC(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2C)c(Cl)cc1F
Basic Information
| ChEMBL ID | CHEMBL5268912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVTRYMNBUCBYEB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
570.9
MW (Da)
6.29
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.51
IC50 1 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 8.13 | 8.13 | 7.3 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 7.35 | nM | 8.13 | Inverse agonist activity at human PPARgamma in human RT112/84 transfected with N... | 36542958 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 31.0 | nM | 7.51 | Inverse agonist activity at GST tagged human PPARgamma LBD (231 to 505 residues)... | 36542958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36542958 | 10.1016/j.bmc.2022.117130 | Peroxisome proliferator-activated receptor gamma | 4 |
Data from ChEMBL 36 via Core Engine