Compound Detail
CHEMBL1277592
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Basic Information
| ChEMBL ID | CHEMBL1277592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAELRIFSGPBQSO-RTBURBONSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
7.92
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.55
EC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.54 | 7.54 | 28.6 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.84 | 5.84 | 1444.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells afte... | 20943404 |
| Cannabinoid receptor 2 | EC50 | = | 28.6 | nM | 7.54 | Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimul... | 20943404 |
| Cannabinoid receptor 1 | Ki | = | 1444.0 | nM | 5.84 | 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