Compound Detail
CHEMBL57723
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Basic Information
| ChEMBL ID | CHEMBL57723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEEFMLVJZKFOFV-FCHUYYIVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.6
MW (Da)
7.55
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.54 | 8.11 | 2.9 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.64 | 7.12 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 2.9 | nM | 8.54 | Binding affinity to CB2 receptor | 20943404 |
| Cannabinoid receptor 2 | Ki | = | 20.8 | nM | 7.68 | Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]... | - |
| Cannabinoid receptor 1 | Ki | = | 23.0 | nM | 7.64 | Binding affinity to CB1 receptor | 20943404 |
| Cannabinoid receptor 1 | Ki | = | 249.7 | nM | 6.6 | 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 |
| 20943404 | 10.1016/j.bmc.2010.09.061 | Cannabinoid receptor 1 | 1 |
| 20943404 | 10.1016/j.bmc.2010.09.061 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine