Compound Detail
CHEMBL230801
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CCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL230801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCWAUMZDRVRELN-UNMCSNQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
5.83
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 5.7 | nM | 8.24 | Displacement of [3H]CP-559440 from human CB1 receptor expressed in HEK293 cells | 17383180 |
| Cannabinoid receptor 2 | Ki | = | 2700.0 | nM | 5.57 | Displacement of [3H]CP-559440 from human CB2 receptor expressed in HEK293 cells | 17383180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17383180 | 10.1016/j.bmcl.2007.03.011 | Cannabinoid receptor 1 | 2 |
| 17383180 | 10.1016/j.bmcl.2007.03.011 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine