Compound Detail
CHEMBL387094
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Basic Information
| ChEMBL ID | CHEMBL387094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTGADDAJJSPMEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.6
MW (Da)
5.30
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 21000.0 | nM | 4.68 | Activation of human PPARalpha by GST pull down assay | 17228882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228882 | 10.1021/jm0601102 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine