Compound Detail
CHEMBL139037
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Basic Information
| ChEMBL ID | CHEMBL139037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZOXWGMUPHVUCW-ZKWNWVNESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
5.58
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.61 | 5.455 | 2460.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.3 | 5.29 | 4980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2460.0 | nM | 5.61 | Displacement of [3H]CP-55940 from Cannabinoid receptor 1 of rat forebrain membra... | 8893848 |
| Cannabinoid receptor 1 | Ki | = | 4980.0 | nM | 5.3 | Tested for binding affinity to Cannabinoid receptor 1 | 10072686 |
| Cannabinoid receptor 1 | Ki | = | 4980.0 | nM | 5.3 | Binding affinity against the Cannabinoid receptor 1 in the presence of PMSF (exp... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 5240.0 | nM | 5.28 | Binding affinity against the cannabinoid receptor (expt 1) | 9057852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine