Compound Detail
CHEMBL254744
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Basic Information
| ChEMBL ID | CHEMBL254744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIHNWTMNUQSVRZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.44
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 60.0 | nM | 7.22 | Agonist activity at human PPARalpha assessed as receptor activation by cell base... | 18060776 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at mouse PPARalpha assessed as receptor activation by cell base... | 18060776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor alpha | 4 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor delta | 2 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine