Compound Detail
CHEMBL455957
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Basic Information
| ChEMBL ID | CHEMBL455957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQGSGRHMFZFYPG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
4.44
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.27 | 7.27 | 54.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 54.0 | nM | 7.27 | Agonist activity at PPARalpha transfected in HEK293 cells by GAL4 transactivatio... | 18662876 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 59.0 | nM | 7.23 | 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