Compound Detail
CHEMBL2348458
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2CC(=O)CC[C@H]21
Basic Information
| ChEMBL ID | CHEMBL2348458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSBZGWGFNNIKFV-SQWXZCMASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
5.48
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.70
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.75 | 6.75 | 175.6 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.6 | 6.6 | 249.5 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.47 | 6.47 | 338.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 175.6 | nM | 6.75 | Displacement of [3H]CP-55940 from rat CB1 receptor expressed in rat brain membra... | 23621789 |
| Cannabinoid receptor 2 | Ki | = | 249.5 | nM | 6.6 | Displacement of [3H]CP-55940 from mouse CB2 receptor expressed in mouse spleen m... | 23621789 |
| Cannabinoid receptor 2 | Ki | = | 338.0 | nM | 6.47 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cell me... | 23621789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23621789 | 10.1021/jm4000775 | Unchecked | 2 |
| 23621789 | 10.1021/jm4000775 | Cannabinoid receptor 2 | 2 |
| 23621789 | 10.1021/jm4000775 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine