Compound Detail
CHEMBL230409
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Basic Information
| ChEMBL ID | CHEMBL230409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDJDJLSWRMOUQW-JFLMPSFJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.02
ALogP
6
HBA
1
HBD
94.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.17 | 8.17 | 6.8 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 6.8 | nM | 8.17 | Agonist activity at human PPARgamma in HepG2 cells by PPAR-GAL4 transactivation ... | 17157019 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 12.0 | nM | 7.92 | Agonist activity at human PPARalpha in HepG2 cells by PPAR-GAL4 transactivation ... | 17157019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17157019 | 10.1016/j.bmcl.2006.11.050 | Peroxisome proliferator-activated receptor gamma | 1 |
| 17157019 | 10.1016/j.bmcl.2006.11.050 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine