Compound Detail
CHEMBL4240680
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 | CHEMBL4240680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRSBSLXUFXAHEI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
5.13
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.74 | 4.74 | 18300.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.6 | 4.6 | 25300.0 | 2 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.41 | 4.41 | 38600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 18300.0 | nM | 4.74 | Agonist activity at human PPARgamma after 22 to 24 hrs by luciferase reporter ge... | 29628329 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 25300.0 | nM | 4.6 | Agonist activity at human PPARalpha after 22 to 24 hrs by luciferase reporter ge... | 29628329 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 25300.0 | nM | 4.6 | Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assess... | 32096640 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 38600.0 | nM | 4.41 | Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter ge... | 29628329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29628329 | 10.1016/j.bmcl.2018.03.010 | Peroxisome proliferator-activated receptor alpha | 4 |
| 32096640 | 10.1021/acs.jmedchem.9b01189 | Peroxisome proliferator-activated receptor alpha | 3 |
| 29628329 | 10.1016/j.bmcl.2018.03.010 | Peroxisome proliferator-activated receptor delta | 1 |
| 29628329 | 10.1016/j.bmcl.2018.03.010 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine