Compound Detail
CHEMBL4850352
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Basic Information
| ChEMBL ID | CHEMBL4850352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYYPOQGMTWWDEV-XKZIYDEJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.59
ALogP
5
HBA
1
HBD
82.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.12 | 6.12 | 764.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.02 | 6.02 | 958.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.11 | 5.11 | 7725.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 764.0 | nM | 6.12 | Agonist activity at human PPARgamma transfected in human HEK293 cells incubated ... | 34455359 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 958.0 | nM | 6.02 | Agonist activity at human PPARdelta transfected in human HEK293 cells incubated ... | 34455359 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 7725.0 | nM | 5.11 | Agonist activity at human PPARalpha transfected in human HepG2 cells incubated f... | 34455359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34455359 | 10.1016/j.ejmech.2021.113807 | Peroxisome proliferator-activated receptor alpha | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine