Compound Detail
CHEMBL499065
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Basic Information
| ChEMBL ID | CHEMBL499065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIYABHDIJFHOEJ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.3
MW (Da)
5.78
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 8.89 | 8.89 | 1.3 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.77 | 8.715 | 1.7 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 7.11 | 7.11 | 77.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.66 | 6.455 | 220.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 43000.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 20130.85 | nM | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 5.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 1.3 | nM | 8.89 | Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 1.7 | nM | 8.77 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 2.2 | nM | 8.66 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 77.0 | nM | 7.11 | Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at human CB1 receptor expressed in Sf9 cells by GTP-europium bi... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 560.0 | nM | 6.25 | Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells ass... | 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 | Rattus norvegicus | 4 |
| 18680277 | 10.1021/jm800463f | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine