Compound Detail
CHEMBL64972
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Basic Information
| ChEMBL ID | CHEMBL64972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBKLXHAHCJHQOK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.12
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.2
IC50 2 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.2 | 6.2 | 625.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 5.69 | 5.69 | 2033.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.56 | 5.56 | 2751.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.51 | 5.51 | 3120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 625.0 | nM | 6.2 | Binding affinity at human PPAR alpha | 11405642 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 2033.0 | nM | 5.69 | Binding affinity towards human peroxidase proliferator activated receptor alpha ... | 11405642 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2751.0 | nM | 5.56 | Binding affinity at human PPAR gamma | 11405642 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 3120.0 | nM | 5.51 | Binding affinity at human peroxidase proliferator activated receptor gamma (hPPA... | 11405642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405642 | 10.1021/jm0155188 | Peroxisome proliferator-activated receptor gamma | 3 |
| 11405642 | 10.1021/jm0155188 | Peroxisome proliferator-activated receptor alpha | 3 |
Data from ChEMBL 36 via Core Engine