Compound Detail
CHEMBL1967191
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Basic Information
| ChEMBL ID | CHEMBL1967191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEFUTBWRCLLDDI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.13
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.43 | 4.43 | 37100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at yeast Gal4-fused human PPARalpha LBD transfected in human He... | 35325635 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 10300.0 | nM | 4.99 | Agonist activity at yeast Gal4-fused human PPARgamma transfected in human HepG2 ... | 35325635 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 37100.0 | nM | 4.43 | Agonist activity at yeast Gal4-fused human PPARdelta 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 |
| 35325635 | 10.1016/j.ejmech.2022.114240 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine