Compound Detail
CHEMBL359165
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Basic Information
| ChEMBL ID | CHEMBL359165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEBXKPDQLHOFKK-GKFVBPDJSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.5
MW (Da)
5.88
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.97
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.97 | 6.64 | 10.8 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 10.8 | nM | 7.97 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Rattus norvegicus | EC50 | = | 100.0 | nM | 7.0 | Effective concentration required for stimulation of [35S]GTP-gamma-S, binding in... | 9876105 |
| Cannabinoid receptor 2 | Ki | = | 290.0 | nM | 6.54 | Binding affinity towards Cannabinoid receptor 2 from mouse spleen membranes usin... | 9876105 |
| Cannabinoid receptor 1 | Ki | = | 4900.0 | nM | 5.31 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9876105 | 10.1021/jm970257g | Rattus norvegicus | 3 |
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 1 | 2 |
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine