Compound Detail
CHEMBL323501
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Basic Information
| ChEMBL ID | CHEMBL323501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIABOANZZWYTLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.75
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 9.8 | nM | 8.01 | Concentration required to inhibit electrically induced contractions in isolated ... | 7636873 |
| Cannabinoid receptor 1 | IC50 | = | 43.0 | nM | 7.37 | Concentration of compound required to inhibit 50% of [3H]WIN-55212 binding to Ca... | 7636873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636873 | 10.1021/jm00016a013 | Cannabinoid receptor 1 | 1 |
| 7636873 | 10.1021/jm00016a013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine