Compound Detail
CHEMBL5090355
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Cc1ccc(/N=N\c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)c(C(F)(F)F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5090355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFZPYODVSDTRAU-KTMFPKCZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
7.29
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.39 | 6.39 | 410.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 190.0 | nM | 6.72 | Agonist activity at Gal4-fused human PPARalpha LBD transfected in HEK293T cells ... | 34213899 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 410.0 | nM | 6.39 | Agonist activity at Gal4-fused human PPARdelta LBD transfected in HEK293T cells ... | 34213899 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1300.0 | nM | 5.89 | Agonist activity at Gal4-fused human PPARgamma LBD transfected in HEK293T cells ... | 34213899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor delta | 2 |
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor gamma | 2 |
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine