Compound Detail
CHEMBL308777
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Basic Information
| ChEMBL ID | CHEMBL308777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLCLZBDMTJODDZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
4.79
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.66 | 7.66 | 22.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.47 | 5.47 | 3363.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 22.0 | nM | 7.66 | Evaluated for binding affinity against recombinant human peripheral cannabinoid ... | - |
| Cannabinoid receptor 2 | Ki | = | 22.0 | nM | 7.66 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor | 19143566 |
| Cannabinoid receptor 1 | Ki | = | 3363.0 | nM | 5.47 | Evaluated for binding affinity against recombinant human central cannabinoid rec... | - |
| Cannabinoid receptor 1 | Ki | = | 3363.0 | nM | 5.47 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor | 19143566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00426-X | Cannabinoid receptor 2 | 1 |
| - | 10.1016/0960-894X(96)00426-X | Cannabinoid receptor 1 | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 1 | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 2 | 1 |
| 19143566 | 10.1021/jm801044g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine