Compound Detail
CHEMBL499050
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Basic Information
| ChEMBL ID | CHEMBL499050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUXZMJXQQKUUOL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
432.2
MW (Da)
4.70
ALogP
6
HBA
1
HBD
93.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 9.22 | 8.85 | 0.6 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 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 | = | 0.6 | nM | 9.22 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 3.3 | nM | 8.48 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 2300.0 | nM | 5.64 | 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 |
| 18680277 | 10.1021/jm800463f | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine