Compound Detail
CHEMBL483544
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Basic Information
| ChEMBL ID | CHEMBL483544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGCZJUCCELATGK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1186946 |
| Active Moiety | CHEMBL1186946 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.3
MW (Da)
5.86
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 30.0 | nM | 7.52 | Binding affinity to CB1 receptor | 19351113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19351113 | 10.1021/jm900255t | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine