Compound Detail
CHEMBL411244
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Basic Information
| ChEMBL ID | CHEMBL411244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMSCAKAZSHMHCT-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
6.60
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.4 | 9.3925 | 0.4 | 4 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.64 | 6.64 | 228.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.4 | nM | 9.4 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Ki | = | 0.4074 | nM | 9.39 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 0.41 | nM | 9.39 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 0.4074 | nM | 9.39 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
| Cannabinoid receptor 1 | Ki | = | 229.09 | nM | 6.64 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 1 | Ki | = | 228.0 | nM | 6.64 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 1 | Ki | = | 228.0 | nM | 6.64 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 2 | 3 |
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 1 | 2 |
| 18311894 | 10.1021/jm7011613 | Unchecked | 1 |
| 18311894 | 10.1021/jm7011613 | Rattus norvegicus | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
| 21835510 | 10.1016/j.ejmech.2011.07.023 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine