Compound Detail
CHEMBL500133
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Basic Information
| ChEMBL ID | CHEMBL500133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQBYRVOBEAOVDD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.8
MW (Da)
5.12
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.42 | 7.27 | 38.0 | 2 |
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 38.0 | nM | 7.42 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 58.0 | nM | 7.24 | Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 75.0 | nM | 7.12 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18680277 | 10.1021/jm800463f | Cannabinoid receptor 1 | 6 |
| 18680277 | 10.1021/jm800463f | Cannabinoid receptor 2 | 6 |
Data from ChEMBL 36 via Core Engine