Compound Detail
CHEMBL488991
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Basic Information
| ChEMBL ID | CHEMBL488991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYQBWUXUDGPVBI-ORTNRGLGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.37
ALogP
5
HBA
2
HBD
88.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.53 | 5.53 | 2940.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.23 | 4.23 | 58800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2940.0 | nM | 5.53 | Agonist activity at human PPARgamma ligand binding domain expressed in african g... | 18826205 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 58800.0 | nM | 4.23 | Agonist activity at human PPARalpha ligand binding domain expressed in african g... | 18826205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18826205 | 10.1021/jm8003416 | Peroxisome proliferator-activated receptor gamma | 2 |
| 18826205 | 10.1021/jm8003416 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine