Compound Detail
CHEMBL487561
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Basic Information
| ChEMBL ID | CHEMBL487561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJQFTOSUQJUUCB-KDYLLFBJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.20
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 20000.0 | nM | 4.7 | Agonist activity at human PPARalpha ligand binding domain expressed in human Hep... | 18805005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18805005 | 10.1016/j.bmcl.2008.08.112 | Peroxisome proliferator-activated receptor alpha | 2 |
| 18805005 | 10.1016/j.bmcl.2008.08.112 | Peroxisome proliferator-activated receptor gamma | 2 |
| 18805005 | 10.1016/j.bmcl.2008.08.112 | Peroxisome proliferator-activated receptor delta | 1 |
| 18805005 | 10.1016/j.bmcl.2008.08.112 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine