Compound Detail
CHEMBL2296779
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Basic Information
| ChEMBL ID | CHEMBL2296779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKFVHQOOPINIEL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.2
MW (Da)
6.93
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.42
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.33 | 7.33 | 47.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 46.99 | nM | 7.33 | Antagonist activity at CB1 receptor (unknown origin) | - |
| Cannabinoid receptor 1 | Ki | = | 47.0 | nM | 7.33 | Antagonist activity at CB1 receptor (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0418-y | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine