Compound Detail
CHEMBL3329946
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Basic Information
| ChEMBL ID | CHEMBL3329946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEBZNJDFIPBXCS-CQSZACIVSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
5.87
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.70
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.76
Ki 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.76 | 7.76 | 17.4 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.9 | 6.9 | 126.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 17.4 | nM | 7.76 | Partial agonist activity at human cannabinoid CB2 receptor expressed in CHO-K1 c... | 25072877 |
| Cannabinoid receptor 2 | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO... | 25072877 |
| Cannabinoid receptor 1 | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO... | 25072877 |
| Cannabinoid receptor 1 | EC50 | = | 126.5 | nM | 6.9 | Partial agonist activity at human cannabinoid CB1 receptor expressed in CHO-K1 c... | 25072877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25072877 | 10.1016/j.ejmech.2014.07.062 | Cannabinoid receptor 1 | 3 |
| 25072877 | 10.1016/j.ejmech.2014.07.062 | Cannabinoid receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine