Compound Detail
CHEMBL118198
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Basic Information
| ChEMBL ID | CHEMBL118198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSSKJPBWYYGQIV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.28
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2300.0 | nM | 5.64 | In vitro effective concentration for agonist activity on human Peroxisome prolif... | 12904063 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity on Gal4 chimeric human Peroxisome proliferator activated recept... | 12904063 |
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 |
Data from ChEMBL 36 via Core Engine