Compound Detail
CHEMBL251003
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CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CCC1CCCCC1)C2
Basic Information
| ChEMBL ID | CHEMBL251003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEUXDLQSDABYEG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
485.7
MW (Da)
5.00
ALogP
5
HBA
0
HBD
62.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.7 | 5.7 | 1982.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.56 | 5.56 | 2742.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1982.0 | nM | 5.7 | Binding affinity to human CB2 receptor | 17884494 |
| Cannabinoid receptor 1 | Ki | = | 2742.0 | nM | 5.56 | Binding affinity to human CB1 receptor | 17884494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Cannabinoid receptor 2 | 2 |
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Cannabinoid receptor 1 | 1 |
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine