Compound Detail
CHEMBL489766
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Basic Information
| ChEMBL ID | CHEMBL489766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OITZSTNPUSTLET-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
4.04
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.48 | 5.48 | 3290.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3290.0 | nM | 5.48 | Agonist activity at human PPARgamma ligand binding domain expressed in african g... | 18826205 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 5600.0 | nM | 5.25 | Agonist activity at human PPARalpha ligand binding domain expressed in african g... | 18826205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18826205 | 10.1021/jm8003416 | Peroxisome proliferator-activated receptor gamma | 2 |
| 18826205 | 10.1021/jm8003416 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine