Compound Detail
CHEMBL218442
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Basic Information
| ChEMBL ID | CHEMBL218442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUNYSURCBHRJBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.93
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.18 | 6.18 | 660.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.72 | 5.72 | 1890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 660.0 | nM | 6.18 | Agonist potency at PPARdelta in CV1 cells by cell based transient transfection a... | 17243659 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1890.0 | nM | 5.72 | Agonist potency at PPARalpha in CV1 cells by cell based transient transfection a... | 17243659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor alpha | 2 |
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor delta | 2 |
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine