Compound Detail
CHEMBL465113
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Basic Information
| ChEMBL ID | CHEMBL465113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQIGGVOKTRDGBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.9
MW (Da)
4.99
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 39.81 | nM | 7.4 | Agonist activity at human CB2 receptor expressed in yeast cells assessed as degr... | 19010671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19010671 | 10.1016/j.bmcl.2008.10.118 | Cannabinoid receptor 1 | 2 |
| 19010671 | 10.1016/j.bmcl.2008.10.118 | Cannabinoid receptor 2 | 2 |
| 19010671 | 10.1016/j.bmcl.2008.10.118 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine