Compound Detail
CHEMBL2237304
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Basic Information
| ChEMBL ID | CHEMBL2237304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCWDFPOKWYMLGH-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.94
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.89 | 5.89 | 1288.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 19.95 | nM | 7.7 | Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activit... | - |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1288.25 | nM | 5.89 | Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activit... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9818-7 | Peroxisome proliferator-activated receptor gamma | 1 |
| - | 10.1007/s00044-011-9818-7 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine