Compound Detail
CHEMBL5198240
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Basic Information
| ChEMBL ID | CHEMBL5198240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UESKGTSLDNVZTD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
362.6
MW (Da)
6.78
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1100.0 | nM | 5.96 | Agonist activity at human PPARalpha expressed in HEK293 cells by luciferase/beta... | 35089724 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3700.0 | nM | 5.43 | Agonist activity at human PPARgamma expressed in HEK293 cells by luciferase/beta... | 35089724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35089724 | 10.1021/acs.jmedchem.1c01542 | Peroxisome proliferator-activated receptor alpha | 6 |
| 35089724 | 10.1021/acs.jmedchem.1c01542 | Peroxisome proliferator-activated receptor delta | 3 |
| 35089724 | 10.1021/acs.jmedchem.1c01542 | Peroxisome proliferator-activated receptor gamma | 3 |
| 35089724 | 10.1021/acs.jmedchem.1c01542 | 3T3-L1 | 1 |
| 35089724 | 10.1021/acs.jmedchem.1c01542 | Hepatocyte | 1 |
| 35089724 | 10.1021/acs.jmedchem.1c01542 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine