Compound Detail
CHEMBL455158
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Basic Information
| ChEMBL ID | CHEMBL455158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QASOYNCNSYBPTE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
4.77
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.35 | 7.35 | 45.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.54 | 5.54 | 2870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 45.0 | nM | 7.35 | Agonist activity at human PPARalpha receptor by cell based transient transfectio... | 18947994 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 50.0 | nM | 7.3 | Agonist activity at human PPARgamma receptor by cell based transient transfectio... | 18947994 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 2870.0 | nM | 5.54 | Agonist activity at human PPARdelta receptor by cell based transient transfectio... | 18947994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor delta | 1 |
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine