Compound Detail
CHEMBL4566817
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Basic Information
| ChEMBL ID | CHEMBL4566817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISQDQTVORBPAJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.3
MW (Da)
5.55
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.55 | 5.55 | 2821.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2821.0 | nM | 5.55 | Agonist activity at PPARalpha (unknown origin) incubated for 3 to 16 hrs by path... | 31312410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31312410 | 10.1021/acsmedchemlett.9b00189 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine