Compound Detail
CHEMBL5281842
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Cc1cccc(-c2nc3cc(NC(=O)c4cc(C(=O)NCc5ccc(F)c(F)c5)c(F)cc4Cl)ccc3o2)c1
Basic Information
| ChEMBL ID | CHEMBL5281842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBJNVKSFYGKANY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
549.9
MW (Da)
7.06
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.18
EC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.73 | 7.73 | 18.7 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 6.6 | nM | 8.18 | Inverse agonist activity at human PPARgamma in human RT112/84 transfected with N... | 36542958 |
| Unchecked | IC50 | = | 18.7 | nM | 7.73 | Antiproliferative activity against human UM-UC-9 assessed as inhibition of cell ... | 36542958 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 230.0 | nM | 6.64 | 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 |
| 36542958 | 10.1016/j.bmc.2022.117130 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine