Compound Detail
CHEMBL1836121
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Basic Information
| ChEMBL ID | CHEMBL1836121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXEPICCVMASENR-PTGBLXJZSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.80
ALogP
6
HBA
0
HBD
60.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.8
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.8 | 5.8 | 1580.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.21 | 5.21 | 6220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1580.0 | nM | 5.8 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
| Cannabinoid receptor 2 | Ki | = | 1584.89 | nM | 5.8 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
| Cannabinoid receptor 2 | IC50 | = | 6220.0 | nM | 5.21 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21835510 | 10.1016/j.ejmech.2011.07.023 | Cannabinoid receptor 2 | 4 |
| 21835510 | 10.1016/j.ejmech.2011.07.023 | Cannabinoid receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine