Compound Detail
CHEMBL116947
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Basic Information
| ChEMBL ID | CHEMBL116947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZACFHMGKWLZCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
5.07
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 400.0 | nM | 6.4 | In vitro effective concentration for agonist activity on human Peroxisome prolif... | 12904063 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 6200.0 | nM | 5.21 | Agonist activity on Gal4 chimeric human Peroxisome proliferator activated recept... | 12904063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12904063 | 10.1021/jm0205144 | Peroxisome proliferator-activated receptor alpha | 1 |
| 12904063 | 10.1021/jm0205144 | Peroxisome proliferator-activated receptor gamma | 1 |
| 12904063 | 10.1021/jm0205144 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine