Compound Detail
CHEMBL372866
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CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC3C4CC5CC(C4)CC3C5)cc1OC2(C)C
Basic Information
| ChEMBL ID | CHEMBL372866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWYQADZEUSGKLP-CASOXHBNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
6.62
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.1 | 7.1 | 79.7 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.1 | 7.1 | 79.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 76.0 | nM | 7.12 | Inhibition of [3H]CP-55940 binding to cannabinoid receptor 2 of mouse spleen mem... | 15999995 |
| Cannabinoid receptor 2 | Ki | = | 76.0 | nM | 7.12 | Binding affinity to CB2 receptor | 19250829 |
| Cannabinoid receptor 1 | Ki | = | 79.7 | nM | 7.1 | Inhibition of [3H]CP-55940 binding to cannabinoid receptor 1 of rat brain | 15999995 |
| Cannabinoid receptor 1 | Ki | = | 79.7 | nM | 7.1 | Binding affinity to CB1 receptor | 19250829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15999995 | 10.1021/jm058175c | Cannabinoid receptor 1 | 1 |
| 15999995 | 10.1021/jm058175c | Cannabinoid receptor 2 | 1 |
| 19250829 | 10.1016/j.bmc.2008.11.059 | Cannabinoid receptor 2 | 1 |
| 19250829 | 10.1016/j.bmc.2008.11.059 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine