Compound Detail
CHEMBL4847495
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CCOc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4847495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSPRSLKDBVOOEP-YSMPRRRNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
6.14
ALogP
6
HBA
1
HBD
91.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.64 | 5.64 | 2310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 2310.0 | nM | 5.64 | Agonist activity at human Gal4 fused PPARdelta LBD expressed in COS-7 cells incu... | 33784603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33784603 | 10.1016/j.ejmech.2021.113388 | Peroxisome proliferator-activated receptor alpha | 1 |
| 33784603 | 10.1016/j.ejmech.2021.113388 | Peroxisome proliferator-activated receptor delta | 1 |
| 33784603 | 10.1016/j.ejmech.2021.113388 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine