Compound Detail
CHEMBL2093080
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Basic Information
| ChEMBL ID | CHEMBL2093080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSLCYQTUSSEGPT-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.3
MW (Da)
4.96
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1.8 | nM | 8.74 | Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940 | 16190764 |
| Cannabinoid receptor 2 | Ki | = | 2.2 | nM | 8.66 | Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940 | 16190764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190764 | 10.1021/jm050135l | Cannabinoid receptor 1 | 1 |
| 16190764 | 10.1021/jm050135l | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine