Compound Detail
CHEMBL410655
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Basic Information
| ChEMBL ID | CHEMBL410655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJZLIPSTUBWUJE-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.80
ALogP
4
HBA
0
HBD
55.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.3
EC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.3 | 8.3 | 5.0 | 3 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.51 | 7.505 | 31.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 5.012 | nM | 8.3 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 5.0 | nM | 8.3 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 5.012 | nM | 8.3 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
| Cannabinoid receptor 1 | Ki | = | 31.0 | nM | 7.51 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 1 | Ki | = | 31.62 | nM | 7.5 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | EC50 | = | 45.0 | nM | 7.35 | Agonist activity at human recombinant CB2 receptor expressed in HEK cells assess... | 18311894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 2 | 4 |
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 1 | 2 |
| 18311894 | 10.1021/jm7011613 | Unchecked | 1 |
| 21835510 | 10.1016/j.ejmech.2011.07.023 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine