Compound Detail
CHEMBL294807
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Basic Information
| ChEMBL ID | CHEMBL294807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCGSRUIHTLREIE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.73
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
EC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.56 | 5.56 | 2751.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 4.97 | 4.97 | 10591.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 4.97 | 4.97 | 10596.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2751.0 | nM | 5.56 | Binding affinity at human PPAR alpha | 11405642 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 10591.0 | nM | 4.97 | Binding affinity at human peroxidase proliferator activated receptor gamma (hPPA... | 11405642 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 10596.0 | nM | 4.97 | Binding affinity towards human peroxidase proliferator activated receptor alpha ... | 11405642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405642 | 10.1021/jm0155188 | Peroxisome proliferator-activated receptor gamma | 3 |
| 11405642 | 10.1021/jm0155188 | Peroxisome proliferator-activated receptor alpha | 3 |
Data from ChEMBL 36 via Core Engine