Compound Detail
CHEMBL1277593
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 | CHEMBL1277593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPZPJESVPYQLGC-WOJBJXKFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
8.31
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.25 | 6.25 | 562.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 15.0 | nM | 7.82 | Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimul... | 20943404 |
| Cannabinoid receptor 2 | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells afte... | 20943404 |
| Cannabinoid receptor 1 | Ki | = | 562.0 | nM | 6.25 | Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membr... | 20943404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20943404 | 10.1016/j.bmc.2010.09.061 | Cannabinoid receptor 2 | 3 |
| 20943404 | 10.1016/j.bmc.2010.09.061 | Unchecked | 1 |
| 20943404 | 10.1016/j.bmc.2010.09.061 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine