Compound Detail
CHEMBL1631163
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Basic Information
| ChEMBL ID | CHEMBL1631163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXIMAZQXUVYWEV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.3
MW (Da)
4.17
ALogP
5
HBA
2
HBD
72.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.27 | 6.27 | 534.4 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.63 | 5.63 | 2344.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.38 | nM | 8.36 | Selectivity index ratio of Ki for recombinant human CB2 to Ki for recombinant hu... | 20943290 |
| Cannabinoid receptor 1 | Ki | = | 534.4 | nM | 6.27 | Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in... | 20943290 |
| Cannabinoid receptor 2 | Ki | = | 2344.4 | nM | 5.63 | Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in... | 20943290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20943290 | 10.1016/j.ejmech.2010.09.053 | Cannabinoid receptor 1 | 1 |
| 20943290 | 10.1016/j.ejmech.2010.09.053 | Cannabinoid receptor 2 | 1 |
| 20943290 | 10.1016/j.ejmech.2010.09.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine