Compound Detail
CHEMBL398145
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Basic Information
| ChEMBL ID | CHEMBL398145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNEIXZRPLSFOCH-PYCFMQQDSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
5.87
ALogP
5
HBA
0
HBD
28.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.12 | 6.12 | 763.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 120.7 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 42.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 11.0 | nM | 7.96 | Binding affinity to human CB2 receptor | 17531479 |
| Cannabinoid receptor 1 | Ki | = | 763.0 | nM | 6.12 | Binding affinity to human CB1 receptor | 17531479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17531479 | 10.1016/j.bmcl.2007.04.099 | Rattus norvegicus | 2 |
| 17531479 | 10.1016/j.bmcl.2007.04.099 | Cannabinoid receptor 2 | 1 |
| 17531479 | 10.1016/j.bmcl.2007.04.099 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine