Compound Detail
CHEMBL5172173
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Basic Information
| ChEMBL ID | CHEMBL5172173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJZOCKKESNTJIM-BUHFOSPRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
4.79
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at yeast Gal4-fused human PPARalpha LBD transfected in human He... | 35325635 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 10200.0 | nM | 4.99 | Agonist activity at yeast Gal4-fused human PPARgamma transfected in human HepG2 ... | 35325635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35325635 | 10.1016/j.ejmech.2022.114240 | Peroxisome proliferator-activated receptor alpha | 2 |
| 35325635 | 10.1016/j.ejmech.2022.114240 | Peroxisome proliferator-activated receptor gamma | 2 |
| 35325635 | 10.1016/j.ejmech.2022.114240 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine