Compound Detail
CHEMBL219587
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Basic Information
| ChEMBL ID | CHEMBL219587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUCSJTXDWXIGFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.43
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 40.0 | nM | 7.4 | 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 | 1 |
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine