Compound Detail
CHEMBL235585
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Basic Information
| ChEMBL ID | CHEMBL235585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNHVPFVYQXICIO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
6.94
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.27 | 8.27 | 5.4 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 5.4 | nM | 8.27 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain synaptosomes | 18038967 |
| Cannabinoid receptor 2 | Ki | = | 5.9 | nM | 8.23 | Displacement of [3H]CP-55940 from CB2 receptor in mouse spleen membranes | 18038967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18038967 | 10.1021/jm070441u | Cannabinoid receptor 2 | 2 |
| 18038967 | 10.1021/jm070441u | Cannabinoid receptor 1 | 1 |
| 18038967 | 10.1021/jm070441u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine