Compound Detail
CHEMBL499060
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Basic Information
| ChEMBL ID | CHEMBL499060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCXPPKCDKPVXLH-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.8
MW (Da)
4.39
ALogP
6
HBA
1
HBD
94.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 9.7 | 9.425 | 0.2 | 2 |
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 0.2 | nM | 9.7 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 0.4 | nM | 9.4 | Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 0.7 | nM | 9.15 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 170.0 | nM | 6.77 | Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at human CB1 receptor expressed in Sf9 cells by GTP-europium bi... | 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