Compound Detail
CHEMBL499628
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Basic Information
| ChEMBL ID | CHEMBL499628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWGMCCRZWULJJR-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
5.57
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 8.49 | 8.49 | 3.2 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.32 | 8.165 | 4.8 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.48 | 6.2 | 330.0 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 3.2 | nM | 8.49 | Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 4.8 | nM | 8.32 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 9.8 | nM | 8.01 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 330.0 | nM | 6.48 | Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 650.0 | nM | 6.19 | Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 1200.0 | nM | 5.92 | 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