Compound Detail
CHEMBL5273189
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Basic Information
| ChEMBL ID | CHEMBL5273189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJZNNXDITCGBSK-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.07
ALogP
6
HBA
0
HBD
62.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
EC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.55 | 6.185 | 280.0 | 2 |
| G-protein coupled receptor 55 CHEMBL1075322 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 280.0 | nM | 6.55 | Antagonist activity at beta-galactosidase fused human GPR55 expressed in CHO cel... | 36655130 |
| G-protein coupled receptor 55 | EC50 | = | 900.0 | nM | 6.05 | Inverse agonist activity at human GPR55 expressed in HEK293 cells coexpressing s... | 36655130 |
| G-protein coupled receptor 55 | IC50 | = | 1500.0 | nM | 5.82 | Antagonist activity at human GPR55 expressed in HEK293 cells coexpressing serum ... | 36655130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36655130 | 10.1021/acsmedchemlett.2c00325 | G-protein coupled receptor 55 | 3 |
| 36655130 | 10.1021/acsmedchemlett.2c00325 | Cannabinoid receptor 1 | 1 |
| 36655130 | 10.1021/acsmedchemlett.2c00325 | Cannabinoid receptor 2 | 1 |
| 36655130 | 10.1021/acsmedchemlett.2c00325 | CHO | 1 |
Data from ChEMBL 36 via Core Engine