Compound Detail
CHEMBL562786
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 | CHEMBL562786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEALQGSCFFCFEN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.33
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 600.0 | nM | 6.22 | Agonist activity at human PPARalpha expressed in african green monkey COS7 cells... | 19556125 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at human PPARbeta expressed in african green monkey COS7 cells ... | 19556125 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3800.0 | nM | 5.42 | Agonist activity at human PPARgamma expressed in african green monkey COS7 cells... | 19556125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570310 | 10.1016/j.bmc.2011.04.034 | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
| 19556125 | 10.1016/j.bmcl.2009.05.057 | Peroxisome proliferator-activated receptor alpha | 2 |
| 19556125 | 10.1016/j.bmcl.2009.05.057 | Peroxisome proliferator-activated receptor gamma | 2 |
| 19556125 | 10.1016/j.bmcl.2009.05.057 | Peroxisome proliferator-activated receptor delta | 2 |
| 21570310 | 10.1016/j.bmc.2011.04.034 | Prostaglandin E synthase | 2 |
| 21570310 | 10.1016/j.bmc.2011.04.034 | A549 | 1 |
Data from ChEMBL 36 via Core Engine