Compound Detail
CHEMBL472071
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Basic Information
| ChEMBL ID | CHEMBL472071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWQUWWRSQDPSOK-RDJZCZTQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.13
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cell... | 19275963 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 4000.0 | nM | 5.4 | Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cell... | 19275963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19275963 | 10.1016/j.bmcl.2009.02.072 | Peroxisome proliferator-activated receptor alpha | 1 |
| 19275963 | 10.1016/j.bmcl.2009.02.072 | Peroxisome proliferator-activated receptor delta | 1 |
| 19275963 | 10.1016/j.bmcl.2009.02.072 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine