Compound Detail
CHEMBL389203
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Basic Information
| ChEMBL ID | CHEMBL389203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBGCKWMSERCOAE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
475.8
MW (Da)
5.73
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 7.83 | 7.83 | 14.8 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 14.8 | nM | 7.83 | Displacement of [3H]CP-55940 from CB1 receptor in CD1 mouse brain | 16279795 |
| Cannabinoid receptor 1 | Ki | = | 15.0 | nM | 7.82 | Binding affinity to CB1 receptor | 18512901 |
| Cannabinoid receptor 2 | Ki | = | 227.0 | nM | 6.64 | Displacement of [3H]CP-55940 from CB2 receptor in CD1 mouse spleen | 16279795 |
| Cannabinoid receptor 2 | Ki | = | 230.0 | nM | 6.64 | Binding affinity to CB2 receptor | 18512901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor 1 | 1 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor 2 | 1 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor | 1 |
| 18512901 | 10.1021/jm8000778 | Cannabinoid receptor 1 | 1 |
| 18512901 | 10.1021/jm8000778 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine