Compound Detail
CHEMBL147086
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Basic Information
| ChEMBL ID | CHEMBL147086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEYJNMQHKJFMHJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
2.90
ALogP
7
HBA
2
HBD
123.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
EC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 960.0 | nM | 6.02 | Inhibitory activity against human Peroxisome proliferator activated receptor alp... | 14613314 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2700.0 | nM | 5.57 | Cotransfection activity against human Peroxisome proliferator activated receptor... | 14613314 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 7900.0 | nM | 5.1 | Inhibitory activity of compound against the binding of human Peroxisome prolifer... | 14613314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613314 | 10.1021/jm034173l | Peroxisome proliferator-activated receptor alpha | 2 |
| 14613314 | 10.1021/jm034173l | Peroxisome proliferator-activated receptor gamma | 2 |
| 14613314 | 10.1021/jm034173l | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine