Compound Detail
CHEMBL370884
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Basic Information
| ChEMBL ID | CHEMBL370884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPYAVJFDESIWFK-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
5.27
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.17 | 7.1867 | 6.7 | 3 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.0 | 7.5167 | 10.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 6.7 | nM | 8.17 | Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940 | 16190764 |
| Cannabinoid receptor 2 | Ki | = | 10.0 | nM | 8.0 | Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940 | 16190764 |
| Cannabinoid receptor 1 | Ki | = | 34.0 | nM | 7.47 | Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940 | 16190764 |
| Cannabinoid receptor 2 | Ki | = | 34.0 | nM | 7.47 | Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940 | 16190764 |
| Cannabinoid receptor 2 | Ki | = | 83.0 | nM | 7.08 | Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940 | 16190764 |
| Cannabinoid receptor 1 | Ki | = | 1200.0 | nM | 5.92 | Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940 | 16190764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190764 | 10.1021/jm050135l | Cannabinoid receptor 1 | 3 |
| 16190764 | 10.1021/jm050135l | Cannabinoid receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine