Compound Detail
CHEMBL5409347
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Cc1cc(CN2C(=O)CN(c3ccc(OC(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5409347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQTFNQJWRWAZKZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
4.41
ALogP
5
HBA
1
HBD
96.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.36 | 8.36 | 4.4 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.86 | 5.86 | 1387.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 0.6 | nM | 9.22 | Agonist activity at human PPARalpha transfected in african green monkey COS7 cel... | 37243609 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 4.4 | nM | 8.36 | Agonist activity at human PPARdelta transfected in african green monkey COS7 cel... | 37243609 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1387.9 | nM | 5.86 | 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