Compound Detail
CHEMBL4858856
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Basic Information
| ChEMBL ID | CHEMBL4858856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRSIFEHCSVDEAN-GRSHGNNSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.17
ALogP
5
HBA
1
HBD
82.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.45 | 5.45 | 3512.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.4 | 5.4 | 3962.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3512.0 | nM | 5.45 | Agonist activity at human PPARdelta transfected in human HEK293 cells incubated ... | 34455359 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3962.0 | nM | 5.4 | Agonist activity at human PPARgamma transfected in human HEK293 cells incubated ... | 34455359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34455359 | 10.1016/j.ejmech.2021.113807 | Peroxisome proliferator-activated receptor gamma | 2 |
| 34455359 | 10.1016/j.ejmech.2021.113807 | Peroxisome proliferator-activated receptor delta | 2 |
| 34455359 | 10.1016/j.ejmech.2021.113807 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine