Compound Detail
CHEMBL5429348
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Cc1cc(N2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5429348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTEQZDVLOXPREQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.4
MW (Da)
4.54
ALogP
4
HBA
1
HBD
87.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.03 | 6.03 | 933.9 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.86 | 5.86 | 1377.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 933.9 | nM | 6.03 | Agonist activity at human PPARalpha transfected in african green monkey COS7 cel... | 37243609 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1377.0 | nM | 5.86 | Agonist activity at human PPARdelta 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 | 1 |
Data from ChEMBL 36 via Core Engine