Compound Detail
CHEMBL499324
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Basic Information
| ChEMBL ID | CHEMBL499324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVSKXWGRIBCWNF-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
5.45
ALogP
6
HBA
1
HBD
96.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.89
Ki 1 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 9.89 | 9.89 | 0.1 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 9.48 | 9.275 | 0.3 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.16 | 8.16 | 7.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.15 | 6.15 | 709.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 0.13 | nM | 9.89 | Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 0.33 | nM | 9.48 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 0.85 | nM | 9.07 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
| Cannabinoid receptor 2 | Ki | = | 6.98 | nM | 8.16 | Displacement of [3H]CP-55,940 from human recombinant cannabinoid CB2 receptor ex... | 24139843 |
| Cannabinoid receptor 1 | EC50 | = | 240.0 | nM | 6.62 | Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 709.0 | nM | 6.15 | 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 |
| 24139843 | 10.1016/j.bmc.2013.09.040 | Cannabinoid receptor 1 | 1 |
| 24139843 | 10.1016/j.bmc.2013.09.040 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine