Compound Detail
CHEMBL4281724
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 | CHEMBL4281724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHMQVNRYYFFGCI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
4.97
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.82 | 5.82 | 1520.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.34 | 5.34 | 4560.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.28 | 5.28 | 5260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1520.0 | nM | 5.82 | Agonist activity at human GAL4 fused PPARdelta-LBD expressed in HEK293 cells aft... | 30296685 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 4560.0 | nM | 5.34 | Agonist activity at human GAL4 fused PPARgamma-LBD expressed in HEK293 cells aft... | 30296685 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 5260.0 | nM | 5.28 | Agonist activity at human GAL4 fused PPARalpha-LBD expressed in human HepG2 cell... | 30296685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor delta | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor gamma | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor alpha | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine