Compound Detail
CHEMBL457405
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CCOc1cc(F)c(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F
Basic Information
| ChEMBL ID | CHEMBL457405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPXZIVISQNAYKI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
6.41
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.38
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.12 | 8.12 | 7.5 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 7.5 | nM | 8.12 | Agonist activity at PPARalpha transfected in HEK293 cells by GAL4 transactivatio... | 18662876 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 22.0 | nM | 7.66 | Agonist activity at PPARgamma transfected in HEK293 cells by GAL4 transactivatio... | 18662876 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 55.0 | nM | 7.26 | Agonist activity at PPARdelta transfected in HEK293 cells by GAL4 transactivatio... | 18662876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18662876 | 10.1016/j.bmcl.2008.07.046 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18662876 | 10.1016/j.bmcl.2008.07.046 | Peroxisome proliferator-activated receptor delta | 1 |
| 18662876 | 10.1016/j.bmcl.2008.07.046 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine