Compound Detail
CHEMBL526345
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Basic Information
| ChEMBL ID | CHEMBL526345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKGLRZUKOWJGKM-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.2
MW (Da)
5.30
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 9.3 | 7.575 | 0.5 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 9.05 | 7.6 | 0.9 | 2 |
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 0.5 | nM | 9.3 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 0.9 | nM | 9.05 | Agonist activity at human CB1 receptor expressed in Sf9 cells by GTP-europium bi... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 710.0 | nM | 6.15 | Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 1400.0 | nM | 5.85 | 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 |
| 18680277 | 10.1021/jm800463f | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine