Compound Detail
CHEMBL122009
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL122009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDVKJUMHVJMEDN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
4.05
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.66 | 5.66 | 2200.0 | 2 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.52 | 5.52 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2200.0 | nM | 5.66 | In vitro effective concentration for agonist activity on human Peroxisome prolif... | 12904063 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2200.0 | nM | 5.66 | Transactivation of human Peroxisome proliferator activated receptor alpha expres... | 11738577 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3000.0 | nM | 5.52 | Agonist activity on Gal4 chimeric human Peroxisome proliferator activated recept... | 12904063 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3000.0 | nM | 5.52 | Concentration of compound that affords half-maximum transactivation of human Per... | 11738577 |
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 |
| 11738577 | 10.1016/s0960-894x(01)00672-2 | Peroxisome proliferator-activated receptor alpha | 1 |
| 11738577 | 10.1016/s0960-894x(01)00672-2 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine