Compound Detail
CHEMBL390005
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 | CHEMBL390005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSCZMOSACZKJJW-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
5.67
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 10.52 | 8.81 | 0.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 13567.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 20706.23 | nM | Rattus norvegicus |
| F | 84.0 | % | Rattus norvegicus |
| T1/2 | 8.2 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 0.03 | nM | 10.52 | Agonist activity at human PPARdelta receptor by cell based transactivation assay | 17524639 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 79.0 | nM | 7.1 | Agonist activity at human PPARdelta receptor by cell based transactivation assay | 17524639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Rattus norvegicus | 5 |
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor delta | 4 |
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor gamma | 2 |
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine