Compound Detail
CHEMBL5198892
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Basic Information
| ChEMBL ID | CHEMBL5198892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYLVHFQOOVHCMT-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.84
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.66
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | IC50 | 9.66 | 9.66 | 0.2 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 8.93 | 8.93 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | IC50 | = | 0.22 | nM | 9.66 | Displacement of [18F]-LU13 from rat spleen CB2 receptor incubated for 90 mins by... | 35771668 |
| Cannabinoid receptor 1 | Ki | = | 0.6 | nM | 9.22 | Displacement of [3H]-SR141716A from recombinant human CB1 receptor expressed in ... | 35771668 |
| Cannabinoid receptor 2 | IC50 | = | 1.17 | nM | 8.93 | Displacement of [18F]-LU13 from human CB2 receptor transfected in CHO cells memb... | 35771668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35771668 | 10.1021/acs.jmedchem.2c00256 | Cannabinoid receptor 2 | 3 |
| 35771668 | 10.1021/acs.jmedchem.2c00256 | Cannabinoid receptor 1 | 1 |
| 35771668 | 10.1021/acs.jmedchem.2c00256 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine