Compound Detail
CHEMBL523395
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Basic Information
| ChEMBL ID | CHEMBL523395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYILVHHTCYNIOS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.38
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.9
EC50 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 6.9 | 6.9 | 125.9 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.9 | 5.9 | 1258.9 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | IC50 | = | 125.89 | nM | 6.9 | Displacement of [3H]GW 2433 from human PPARdelta by competition-binding assay | 18722772 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1258.93 | nM | 5.9 | Agonist activity at human PPARdelta by Gal4 chimera cell-based reporter assay | 18722772 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 7943.28 | nM | 5.1 | Displacement of radiolabeled ligand from human PPARgamma by competition-binding ... | 18722772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722772 | 10.1016/j.bmcl.2008.08.011 | Peroxisome proliferator-activated receptor delta | 3 |
| 18722772 | 10.1016/j.bmcl.2008.08.011 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18722772 | 10.1016/j.bmcl.2008.08.011 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine