Compound Detail
CHEMBL4217067
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 | CHEMBL4217067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQKNIDGIDMCYLZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
5.78
ALogP
4
HBA
1
HBD
80.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.32 | 7.9375 | 4.8 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 195.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 4.81 | nM | 8.32 | Luciferase Assay: Medium including test compound was aspirated and washed with P... | - |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 9.8 | nM | 8.01 | Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidas... | 29103972 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 19.6 | nM | 7.71 | Agonist activity at N-terminal His-tagged human PPARdelta-LBD expressed in Esche... | 32539376 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 19.6 | nM | 7.71 | Transactivation of N-terminal His-tagged human PPARdelta-LBD expressed in Escher... | 32539376 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29103972 | 10.1016/j.bmcl.2017.10.037 | ADMET | 3 |
| 32539376 | 10.1021/acs.jmedchem.9b01882 | Peroxisome proliferator-activated receptor delta | 2 |
| 29103972 | 10.1016/j.bmcl.2017.10.037 | Mus musculus | 1 |
| 29103972 | 10.1016/j.bmcl.2017.10.037 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine