Compound Detail
CHEMBL57802
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Basic Information
| ChEMBL ID | CHEMBL57802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URVMMMGKKYFPET-WOJBJXKFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.6
MW (Da)
7.25
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.24 | 9.24 | 0.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.58 | nM | 9.24 | Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]... | - |
| Cannabinoid receptor 1 | Ki | = | 1.82 | nM | 8.74 | Binding affinity against human cannabinoid receptor by using radioligand ([3H]CP... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor 2 | 1 |
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine