Compound Detail
CHEMBL3596755
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Basic Information
| ChEMBL ID | CHEMBL3596755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPANEYQXRVAEPR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
4.04
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Ki 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.88 | 5.88 | 1320.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.3 | 5.3 | 5020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1320.0 | nM | 5.88 | Displacement of human recombinant CB2 receptor expressed in HEK293 cell membrane... | - |
| Cannabinoid receptor 2 | IC50 | = | 5020.0 | nM | 5.3 | Displacement of human recombinant CB2 receptor expressed in HEK293 cell membrane... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00232F | Cannabinoid receptor 1 | 3 |
| - | 10.1039/C4MD00232F | Cannabinoid receptor 2 | 3 |
| - | 10.1039/C4MD00232F | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine