Compound Detail
CHEMBL218687
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Basic Information
| ChEMBL ID | CHEMBL218687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRZPWWLJHFQSNO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
6.16
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.73 | 5.73 | 1870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 20.0 | nM | 7.7 | Agonist potency at PPARdelta in CV1 cells by cell based transient transfection a... | 17243659 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 210.0 | nM | 6.68 | Agonist potency at PPARalpha in CV1 cells by cell based transient transfection a... | 17243659 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1870.0 | nM | 5.73 | Agonist potency at PPARgamma in CV1 cells by cell based transient transfection a... | 17243659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor delta | 2 |
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor gamma | 2 |
| 17243659 | 10.1021/jm058056x | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine