Compound Detail
CHEMBL2237302
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
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 | CHEMBL2237302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POVZJFCCQNWRJN-GOSISDBHSA-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 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.2 | 6.2 | 631.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 630.96 | nM | 6.2 | Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activit... | - |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2511.89 | nM | 5.6 | 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