Compound Detail
CHEMBL3758325
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Basic Information
| ChEMBL ID | CHEMBL3758325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAVRGFYZHOYEFU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
5.93
ALogP
4
HBA
2
HBD
106.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 7.55 | 7.165 | 28.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 28.2 | nM | 7.55 | Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells a... | 26529344 |
| Cannabinoid receptor 1 | EC50 | = | 166.0 | nM | 6.78 | Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells a... | 26529344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26529344 | 10.1021/acs.jmedchem.5b01303 | Cannabinoid receptor 1 | 5 |
Data from ChEMBL 36 via Core Engine