Compound Detail
CHEMBL233978
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Basic Information
| ChEMBL ID | CHEMBL233978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISEMTHSDRXTHAL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
5.42
ALogP
5
HBA
1
HBD
72.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.11
EC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.65 | 6.65 | 226.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 5.42 | 5.42 | 3820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | IC50 | = | 7.7 | nM | 8.11 | Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy... | 17512197 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 226.0 | nM | 6.65 | Agonist activity at human PPARdelta in HepG2 cells by GAL4-luciferase reporter g... | 17512197 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 3820.0 | nM | 5.42 | Displacement of [3H]2-(4-(2-(3-(2,4-difluorophenyl)-1-heptylureido)ethyl)phenoxy... | 17512197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17512197 | 10.1016/j.bmcl.2007.04.047 | Peroxisome proliferator-activated receptor delta | 2 |
| 17512197 | 10.1016/j.bmcl.2007.04.047 | Peroxisome proliferator-activated receptor alpha | 1 |
| 17512197 | 10.1016/j.bmcl.2007.04.047 | Unchecked | 1 |
| 17512197 | 10.1016/j.bmcl.2007.04.047 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine