Compound Detail
CHEMBL5432415
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Cc1cc(CN2C(=O)CN(c3cccc(C(F)(F)F)c3)C2=O)cc(C)c1OC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5432415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGUYCCKOLIKFIG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
4.53
ALogP
4
HBA
1
HBD
87.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.42 | 8.42 | 3.8 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.23 | 8.23 | 5.9 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.0 | 6.0 | 996.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3.8 | nM | 8.42 | Agonist activity at human PPARalpha transfected in african green monkey COS7 cel... | 37243609 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 5.9 | nM | 8.23 | Agonist activity at human PPARdelta transfected in african green monkey COS7 cel... | 37243609 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 996.3 | nM | 6.0 | Agonist activity at human PPARgamma transfected in african green monkey COS7 cel... | 37243609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37243609 | 10.1021/acs.jmedchem.2c02123 | Peroxisome proliferator-activated receptor alpha | 2 |
| 37243609 | 10.1021/acs.jmedchem.2c02123 | Peroxisome proliferator-activated receptor delta | 2 |
| 37243609 | 10.1021/acs.jmedchem.2c02123 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine