Compound Detail
CHEMBL4441442
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Basic Information
| ChEMBL ID | CHEMBL4441442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBMFEWDFUMRYOI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
3.61
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.88 | 5.88 | 1324.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1324.0 | nM | 5.88 | Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell... | 31302448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Cannabinoid receptor 1 | 4 |
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Cannabinoid receptor 2 | 4 |
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine