Compound Detail
CHEMBL1631298
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Basic Information
| ChEMBL ID | CHEMBL1631298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQGJEFOMDMDKQT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
5.81
ALogP
4
HBA
1
HBD
51.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.92 | 6.92 | 121.5 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.71 | 6.71 | 193.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.62 | nM | 9.21 | Selectivity index ratio of Ki for recombinant human CB2 to Ki for recombinant hu... | 20943290 |
| Cannabinoid receptor 2 | Ki | = | 121.5 | nM | 6.92 | Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in... | 20943290 |
| Cannabinoid receptor 1 | Ki | = | 193.5 | nM | 6.71 | Displacement of [3H]CP-55,940 from recombinant human CB1 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