Compound Detail
CHEMBL472244
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Basic Information
| ChEMBL ID | CHEMBL472244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSSRKTSVXGKBDH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.8
MW (Da)
5.21
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.62
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.19 | 7.19 | 64.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.97 | 5.97 | 1060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 64.0 | nM | 7.19 | Agonist activity at human PPARalpha ligand binding domain expressed in human Hep... | 18835719 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1060.0 | nM | 5.97 | Agonist activity at human PPARgamma ligand binding domain expressed in human Hep... | 18835719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835719 | 10.1016/j.bmc.2008.09.045 | Peroxisome proliferator-activated receptor gamma | 2 |
| 18835719 | 10.1016/j.bmc.2008.09.045 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine