Compound Detail
CHEMBL286222
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Basic Information
| ChEMBL ID | CHEMBL286222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWBFQADAHYGPMY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
4.18
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.64 | 7.64 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 23.0 | nM | 7.64 | Inhibition of [3H]CP-55940 binding to cannabinoid receptor 1 in rat brain membra... | 11906286 |
| Cannabinoid receptor 1 | Ki | = | 23.0 | nM | 7.64 | Binding affinity to rat CB1R assessed as inhibition constant | 35694688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11906286 | 10.1021/jm010267o | Cannabinoid receptor 1 | 1 |
| 35694688 | 10.1039/d2md00006g | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine