Compound Detail
CHEMBL429824
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Basic Information
| ChEMBL ID | CHEMBL429824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJUBGDUGJBRUJW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
5.27
ALogP
8
HBA
1
HBD
103.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 7.0 | nM | 8.15 | Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay | 17553678 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1700.0 | nM | 5.77 | Agonist activity at human recombinant PPARdelta by GAL4 transactivation assay | 17553678 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1800.0 | nM | 5.75 | Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay | 17553678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17553678 | 10.1016/j.bmcl.2007.05.066 | Peroxisome proliferator-activated receptor alpha | 1 |
| 17553678 | 10.1016/j.bmcl.2007.05.066 | Peroxisome proliferator-activated receptor gamma | 1 |
| 17553678 | 10.1016/j.bmcl.2007.05.066 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine