Compound Detail
CHEMBL394968
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Basic Information
| ChEMBL ID | CHEMBL394968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEJIGJHEKHEJBT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
5.37
ALogP
6
HBA
1
HBD
85.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.14
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.14 | 6.14 | 726.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.93 | 5.93 | 1180.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.34 | 5.34 | 4560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 726.0 | nM | 6.14 | Agonist activity at PPARalpha receptor expressed in HEK293 cells by GAL4 transac... | 17292606 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1180.0 | nM | 5.93 | Agonist activity at PPARgamma receptor expressed in HEK293 cells by GAL4 transac... | 17292606 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 1800.0 | nM | 5.75 | Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescen... | 17292606 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 4560.0 | nM | 5.34 | Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescen... | 17292606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17292606 | 10.1016/j.bmcl.2007.01.060 | Peroxisome proliferator-activated receptor gamma | 4 |
| 17292606 | 10.1016/j.bmcl.2007.01.060 | Peroxisome proliferator-activated receptor alpha | 3 |
Data from ChEMBL 36 via Core Engine