Compound Detail
CHEMBL166572
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
Basic Information
| ChEMBL ID | CHEMBL166572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSBOHRFABLKVLA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
5.05
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| CL | 13.7 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1574.87 | nM | Rattus norvegicus |
| F | 63.0 | % | Rattus norvegicus |
| T1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1200.0 | nM | 5.92 | In vitro transactivation using receptor transactivation assay against hPPAR alph... | 11831892 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1200.0 | nM | 5.92 | In vitro transactivation using receptor transactivation assay against hPPAR gamm... | 11831892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831892 | 10.1021/jm010964g | Mus musculus | 7 |
| 11831892 | 10.1021/jm010964g | Rattus norvegicus | 5 |
| 11831892 | 10.1021/jm010964g | Peroxisome proliferator-activated receptor alpha | 2 |
| 11831892 | 10.1021/jm010964g | Peroxisome proliferator-activated receptor gamma | 2 |
| 11831892 | 10.1021/jm010964g | ADMET | 2 |
Data from ChEMBL 36 via Core Engine