Compound Detail
CHEMBL571044
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Basic Information
| ChEMBL ID | CHEMBL571044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJFRMCVRAXAGLS-QXMHVHEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.7
MW (Da)
5.86
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 11000.0 | nM | 4.96 | Activation of human PPARalpha by GST pull down assay | 17228882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19762126 | 10.1016/j.ejmech.2009.08.003 | Cannabinoid receptor 1 | 2 |
| 19762126 | 10.1016/j.ejmech.2009.08.003 | Fatty-acid amide hydrolase 1 | 2 |
| 17228882 | 10.1021/jm0601102 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine