Compound Detail
CHEMBL4873473
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Basic Information
| ChEMBL ID | CHEMBL4873473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWDFSAXHSYUATJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.75
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 10.7 | 10.7 | 0.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.78 | 7.78 | 16.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 0.02 | nM | 10.7 | Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inc... | 34413936 |
| Cannabinoid receptor 2 | EC50 | = | 16.6 | nM | 7.78 | Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inc... | 34413936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413936 | 10.1021/acsmedchemlett.1c00331 | Cannabinoid receptor 1 | 2 |
| 34413936 | 10.1021/acsmedchemlett.1c00331 | Cannabinoid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine