Compound Detail
CHEMBL3410729
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Basic Information
| ChEMBL ID | CHEMBL3410729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZWTWWBWQVRNNN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
4.03
ALogP
7
HBA
1
HBD
96.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.06
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 10.06 | 10.06 | 0.1 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 6.19 | 6.19 | 644.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.087 | nM | 10.06 | Binding affinity to CB2 receptor (unknown origin) | 25644673 |
| Cannabinoid receptor 2 | Ki | = | 0.0869 | nM | 10.06 | Binding affinity to CB2 receptor (unknown origin) | 25644673 |
| Cannabinoid receptor 2 | IC50 | = | 644.0 | nM | 6.19 | 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 2 | 3 |
| 25644673 | 10.1016/j.ejmech.2015.01.054 | Cannabinoid receptor 1 | 1 |
| 25644673 | 10.1016/j.ejmech.2015.01.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine