Compound Detail
CHEMBL5084763
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CC(C)(Oc1ccc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1C(F)(F)F)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5084763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFRJTIMCBPCWPY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.4
MW (Da)
4.24
ALogP
7
HBA
1
HBD
95.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.04 | 7.04 | 90.7 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.57 | 6.57 | 272.5 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.78 | 5.78 | 1654.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 90.7 | nM | 7.04 | Agonist activity at PPARdelta (unknown origin) | 35060744 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 272.5 | nM | 6.57 | Agonist activity at PPARalpha (unknown origin) | 35060744 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1654.0 | nM | 5.78 | Agonist activity at PPARgamma (unknown origin) | 35060744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor alpha | 2 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor delta | 2 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine