Compound Detail
CHEMBL56799
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Basic Information
| ChEMBL ID | CHEMBL56799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTJDLIRSSVCJHZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
324.5
MW (Da)
6.92
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.64 | 8.51 | 2.3 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.57 | 8.235 | 2.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H]CP-55940 from cloned human CB2 receptor | 17507224 |
| Cannabinoid receptor 1 | Ki | = | 2.7 | nM | 8.57 | Displacement of [3H]CP-55940 from cloned human CB1 receptor | 17507224 |
| Cannabinoid receptor 2 | Ki | = | 4.14 | nM | 8.38 | Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]... | - |
| Cannabinoid receptor 1 | Ki | = | 12.5 | nM | 7.9 | 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 |
| 17507224 | 10.1016/j.bmcl.2007.04.059 | Cannabinoid receptor 1 | 1 |
| 17507224 | 10.1016/j.bmcl.2007.04.059 | Cannabinoid receptor 2 | 1 |
| 17507224 | 10.1016/j.bmcl.2007.04.059 | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine