Compound Detail
CHEMBL400040
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Basic Information
| ChEMBL ID | CHEMBL400040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEQJXSVWDWNCHK-MUMRKEEXSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
5.84
ALogP
3
HBA
2
HBD
64.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.96 | 6.96 | 109.7 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.5 | 6.5 | 316.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 110.7 | nM | 6.96 | Binding affinity to CB2 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 109.65 | nM | 6.96 | Binding affinity to CB2 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 316.23 | nM | 6.5 | Binding affinity at CB1 receptor | 17980589 |
| Cannabinoid receptor 1 | Ki | = | 319.0 | nM | 6.5 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 316.23 | nM | 6.5 | Binding affinity to CB1 receptor | 17521177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 1 | 2 |
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 2 | 2 |
| 17980589 | 10.1016/j.bmcl.2007.10.044 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine