Compound Detail
CHEMBL141647
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Basic Information
| ChEMBL ID | CHEMBL141647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWSMMQKRRVRXBA-DOFZRALJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
7.48
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.81 | 5.81 | 1560.0 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1560.0 | nM | 5.81 | Tested for binding affinity to Cannabinoid receptor 1 | 10072686 |
| Cannabinoid receptor 1 | Ki | = | 1560.0 | nM | 5.81 | Displacement of [3H]CP-55940 from Cannabinoid receptor 1 of rat forebrain membra... | 8893848 |
| Cannabinoid receptor 2 | Ki | = | 3100.0 | nM | 5.51 | Compound was evaluated for its binding affinity for mouse spleen Cannabinoid rec... | 8893848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072686 | 10.1021/jm980461j | Fatty-acid amide hydrolase 1 | 2 |
| 10072686 | 10.1021/jm980461j | Cannabinoid receptor 1 | 1 |
| 8893848 | 10.1021/jm960152y | Cannabinoid receptor 1 | 1 |
| 8893848 | 10.1021/jm960152y | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine