Compound Detail
CHEMBL373237
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)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL373237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEDIKMQCSOVILD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
7.44
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
EC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 4.98 | 4.98 | 10575.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4167.3 | ng.hr.mL-1 | - |
| T1/2 | 0.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 12.0 | nM | 7.92 | Inhibitory concentration against human peroxisome proliferator activated recepto... | 16153845 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 13.0 | nM | 7.89 | Effective agonist concentration for human PPAR gamma Gal4 construct in transacti... | 16153845 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 10575.0 | nM | 4.98 | Inhibitory concentration against human peroxisome proliferator activated recepto... | 16153845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16153845 | 10.1016/j.bmcl.2005.08.002 | Peroxisome proliferator-activated receptor gamma | 3 |
| 16153845 | 10.1016/j.bmcl.2005.08.002 | ADMET | 2 |
| 16153845 | 10.1016/j.bmcl.2005.08.002 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine