Compound Detail
CHEMBL2282521
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Basic Information
| ChEMBL ID | CHEMBL2282521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVOIEZBLTDUYGB-RUZDIDTESA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.07
ALogP
6
HBA
1
HBD
91.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.62 | 7.62 | 24.0 | 2 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.16 | 5.16 | 6900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 23.99 | nM | 7.62 | Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain ... | - |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 24.0 | nM | 7.62 | Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain ... | - |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 6918.31 | nM | 5.16 | Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain ... | - |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 6900.0 | nM | 5.16 | Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0003-4 | Peroxisome proliferator-activated receptor gamma | 2 |
| - | 10.1007/s00044-012-0003-4 | Peroxisome proliferator-activated receptor alpha | 2 |
| - | 10.1007/s00044-012-0003-4 | PPAR alpha/gamma | 1 |
Data from ChEMBL 36 via Core Engine