Compound Detail
CHEMBL522936
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Basic Information
| ChEMBL ID | CHEMBL522936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZTPJJNNACUQQR-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.43
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.23 | 5.23 | 5930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 5930.0 | nM | 5.23 | Agonist activity at human PPARgamma ligand binding domain expressed in human Hep... | 19053776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053776 | 10.1021/jm800733h | Peroxisome proliferator-activated receptor alpha | 5 |
| 19053776 | 10.1021/jm800733h | Peroxisome proliferator-activated receptor gamma | 3 |
| 19053776 | 10.1021/jm800733h | Thyroid hormone receptor alpha | 1 |
| 19053776 | 10.1021/jm800733h | Retinoic acid receptor alpha | 1 |
| 19053776 | 10.1021/jm800733h | Retinoic acid receptor RXR-alpha | 1 |
| 19053776 | 10.1021/jm800733h | Peroxisome proliferator-activated receptor delta | 1 |
| 19053776 | 10.1021/jm800733h | Oxysterols receptor LXR-beta | 1 |
| 19053776 | 10.1021/jm800733h | Bile acid receptor | 1 |
| 19053776 | 10.1021/jm800733h | Hepatocyte nuclear factor 4-alpha | 1 |
| 19053776 | 10.1021/jm800733h | Nuclear receptor subfamily 4 group A member 2 | 1 |
| 32239932 | 10.1021/acs.jmedchem.0c00048 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine