Compound Detail
CHEMBL249024
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 | CHEMBL249024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLZFLSJJUBJAPJ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
3.58
ALogP
5
HBA
0
HBD
62.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
EC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.1 | 8.1 | 7.9 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.55 | 6.55 | 279.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 0.6 | nM | 9.22 | Agonist activity at human CB2 receptor by GTPgamma[35S] assay | 17884494 |
| Cannabinoid receptor 2 | Ki | = | 7.9 | nM | 8.1 | Binding affinity to human CB2 receptor | 17884494 |
| Cannabinoid receptor 2 | Ki | = | 7.9 | nM | 8.1 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor | 19143566 |
| Cannabinoid receptor 1 | Ki | = | 279.0 | nM | 6.55 | Binding affinity to human CB1 receptor | 17884494 |
| Cannabinoid receptor 1 | Ki | = | 279.0 | nM | 6.55 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor | 19143566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Cannabinoid receptor 2 | 3 |
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Cannabinoid receptor 1 | 1 |
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Unchecked | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 1 | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 2 | 1 |
| 19143566 | 10.1021/jm801044g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine