Compound Detail
CHEMBL28045
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Basic Information
| ChEMBL ID | CHEMBL28045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRIKXSCKZOBQCX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.70
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 9.49 | 9.49 | 0.3 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Cannabinoid receptor CHEMBL2111385 | IC50 | 5.51 | 5.51 | 3053.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 0.32 | nM | 9.49 | Agonist activity at CB1 receptor | 17582659 |
| Mus musculus | IC50 | = | 320.0 | nM | 6.5 | In vitro inhibition of electrically stimulated contractions of isolated mouse va... | 1732519 |
| Cannabinoid receptor | IC50 | = | 3053.0 | nM | 5.51 | Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding ... | 1732519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732519 | 10.1021/jm00079a016 | Mus musculus | 1 |
| 1732519 | 10.1021/jm00079a016 | Cannabinoid receptor | 1 |
| 17582659 | 10.1016/j.ejmech.2007.04.007 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine