Compound Detail
CHEMBL110725
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Basic Information
| ChEMBL ID | CHEMBL110725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVBKTIFDZAGSRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.58
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | Ki | = | 63.0 | nM | 7.2 | Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR ... | 12951090 |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 1100.0 | nM | 5.96 | Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR ... | 12951090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951090 | 10.1016/s0960-894x(03)00702-9 | Peroxisome proliferator-activated receptor alpha | 1 |
| 12951090 | 10.1016/s0960-894x(03)00702-9 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine