Compound Detail
CHEMBL232730
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
Basic Information
| ChEMBL ID | CHEMBL232730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJJSYYLZHUPKBQ-SDXDJHTJSA-N |
3
Targets
5
Activities
2
Assay Types
6
PK Parameters
7
Publications
0
Known Names
Molecular Properties
352.6
MW (Da)
5.52
ALogP
4
HBA
0
HBD
15.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.05
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.05 | 8.05 | 9.0 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 5.7 | 5.7 | 2020.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1100.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 63.4 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 83.3 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 10.0 | % | Rattus norvegicus |
| F | 18.0 | % | Rattus norvegicus |
| T1/2 | 0.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | IC50 | = | 6.1 | nM | 8.21 | Agonist activity at human CB2 in CHO cells assessed as inhibition of cAMP produc... | 17521907 |
| Cannabinoid receptor 2 | Ki | = | 9.0 | nM | 8.05 | Binding affinity to human CB2 receptor | 17531479 |
| Cannabinoid receptor 2 | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]CP-55940 from human CB2 receptor | 17521907 |
| Cannabinoid receptor 2 | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]CP-55940 from mouse CB2 receptor | 17521907 |
| Cannabinoid receptor 1 | Ki | = | 2020.0 | nM | 5.7 | Displacement of [3H]CP-55940 from mouse CB1 receptor | 17521907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521907 | 10.1016/j.bmcl.2007.04.093 | Rattus norvegicus | 4 |
| 17521907 | 10.1016/j.bmcl.2007.04.093 | Cannabinoid receptor 2 | 3 |
| 17521907 | 10.1016/j.bmcl.2007.04.093 | Cannabinoid receptor 1 | 3 |
| 17531479 | 10.1016/j.bmcl.2007.04.099 | Rattus norvegicus | 2 |
| 17521907 | 10.1016/j.bmcl.2007.04.093 | Mus musculus | 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