Compound Detail
CHEMBL109161
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Basic Information
| ChEMBL ID | CHEMBL109161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPPKYQKKFVGHDU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.3
MW (Da)
5.00
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | Ki | 7.01 | 6.545 | 98.0 | 2 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | Ki | = | 98.0 | nM | 7.01 | Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR ... | 12951090 |
| Peroxisome proliferator-activated receptor alpha | Ki | = | 836.0 | nM | 6.08 | Binding affinity towards human peroxisome proliferator activated receptor alpha ... | 12951090 |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 4600.0 | nM | 5.34 | Binding affinity towards human peroxisome proliferator activated receptor gamma ... | 12951090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951090 | 10.1016/s0960-894x(03)00702-9 | Peroxisome proliferator-activated receptor alpha | 2 |
| 12951090 | 10.1016/s0960-894x(03)00702-9 | Peroxisome proliferator-activated receptor gamma | 2 |
| 12951090 | 10.1016/s0960-894x(03)00702-9 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine