Compound Detail
CHEMBL5268127
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Basic Information
| ChEMBL ID | CHEMBL5268127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZFKJXQYMUMVEP-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.76
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.13
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.13 | 4.9525 | 7400.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 3000.0 | nM | 5.52 | Displacement of fluormone pan-PPARgreen from GST-tagged human PPARgamma ligand b... | 36529937 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 7400.0 | nM | 5.13 | Agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin)... | 36529937 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 9800.0 | nM | 5.01 | Agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin)... | 36529937 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 13800.0 | nM | 4.86 | Agonist activity at PPARgamma in human BMMSC cells assessed as promotion of adip... | 36529937 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 15500.0 | nM | 4.81 | Agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin)... | 36529937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36529937 | 10.1021/acs.jnatprod.2c00844 | Peroxisome proliferator-activated receptor gamma | 11 |
| 36529937 | 10.1021/acs.jnatprod.2c00844 | Mesenchymal stem cells | 1 |
| 36529937 | 10.1021/acs.jnatprod.2c00844 | Peroxisome proliferator-activated receptor alpha | 1 |
| 36529937 | 10.1021/acs.jnatprod.2c00844 | Peroxisome proliferator-activated receptor delta | 1 |
| 36529937 | 10.1021/acs.jnatprod.2c00844 | Oxysterols receptor LXR-beta | 1 |
| 36529937 | 10.1021/acs.jnatprod.2c00844 | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine