Compound Detail
CHEMBL219156
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Basic Information
| ChEMBL ID | CHEMBL219156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOJRCUXNIZFQKR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.7
MW (Da)
6.08
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
Ki 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.04 | 5.04 | 9102.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 100.0 | nM | 7.0 | Activation of human PPARalpha by GST pull down assay | 17228882 |
| Cannabinoid receptor 1 | Ki | = | 9102.0 | nM | 5.04 | Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after... | 19762126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228882 | 10.1021/jm0601102 | Rattus norvegicus | 4 |
| 19762126 | 10.1016/j.ejmech.2009.08.003 | Cannabinoid receptor 1 | 3 |
| 17228882 | 10.1021/jm0601102 | Peroxisome proliferator-activated receptor alpha | 2 |
| 19762126 | 10.1016/j.ejmech.2009.08.003 | Fatty-acid amide hydrolase 1 | 2 |
| 19762126 | 10.1016/j.ejmech.2009.08.003 | Cannabinoid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine