Compound Detail
CHEMBL3410721
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Basic Information
| ChEMBL ID | CHEMBL3410721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJVPUNJYFILEKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.65
ALogP
5
HBA
1
HBD
77.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 6.09 | 6.09 | 807.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | IC50 | = | 807.0 | nM | 6.09 | Antagonist activity at CB2 receptor (unknown origin) expressed in CHO cells up t... | 25644673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25644673 | 10.1016/j.ejmech.2015.01.054 | Cannabinoid receptor 1 | 1 |
| 25644673 | 10.1016/j.ejmech.2015.01.054 | Cannabinoid receptor 2 | 1 |
| 25644673 | 10.1016/j.ejmech.2015.01.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine