Compound Detail
CHEMBL464679
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Basic Information
| ChEMBL ID | CHEMBL464679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCAWPGARWVBULJ-IRXDYDNUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
5.74
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.57 | 7.57 | 27.1 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.39 | 7.39 | 40.4 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.29 | 7.29 | 51.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 27.1 | nM | 7.57 | Displacement of [3H]CP-55,940 from rat brain Cb1 receptor | 30122284 |
| Cannabinoid receptor 2 | Ki | = | 40.4 | nM | 7.39 | Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in H... | 30122284 |
| Cannabinoid receptor 2 | Ki | = | 51.5 | nM | 7.29 | Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in H... | 30122284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30122284 | 10.1016/j.bmc.2018.08.003 | Cannabinoid receptor 2 | 2 |
| 17582659 | 10.1016/j.ejmech.2007.04.007 | Cannabinoid receptor 1 | 1 |
| 30122284 | 10.1016/j.bmc.2018.08.003 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine