Compound Detail
CHEMBL391283
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Basic Information
| ChEMBL ID | CHEMBL391283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAZGGHCYFQETEG-HXUWFJFHSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
5.87
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.3
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.24 | 6.24 | 576.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at human Gal4-PPARdelta expressed in CV1 cells by transactivati... | 17129725 |
| Peroxisome proliferator-activated receptor delta | IC50 | = | 5.0 | nM | 8.3 | Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phe... | 17129725 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 520.0 | nM | 6.28 | Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl... | 17129725 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 576.0 | nM | 6.24 | Agonist activity at PPARgamma in CV1 cells by transactivation assay | 17129725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17129725 | 10.1016/j.bmcl.2006.11.029 | Peroxisome proliferator-activated receptor alpha | 2 |
| 17129725 | 10.1016/j.bmcl.2006.11.029 | Peroxisome proliferator-activated receptor gamma | 2 |
| 17129725 | 10.1016/j.bmcl.2006.11.029 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine