Compound Detail
CHEMBL2237303
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CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2237303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POVZJFCCQNWRJN-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.4
MW (Da)
5.77
ALogP
6
HBA
1
HBD
94.7
PSA (Ų)
0.36
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3.981 | nM | 8.4 | Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activit... | - |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 31.62 | nM | 7.5 | Transactivation of Homo sapiens (human) PPARgamma 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