Compound Detail
CHEMBL2063235
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Basic Information
| ChEMBL ID | CHEMBL2063235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZBZPOIEJAJRKK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
5.59
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.96 | 9.675 | 0.1 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 4.78 | 4.78 | 16600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.11 | nM | 9.96 | Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as ... | 24900484 |
| Cannabinoid receptor 1 | Ki | = | 0.41 | nM | 9.39 | Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells ... | 24900484 |
| Cannabinoid receptor 2 | Ki | = | 16600.0 | nM | 4.78 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells a... | 24900484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900484 | 10.1021/ml3000325 | MDCK | 2 |
| 24900484 | 10.1021/ml3000325 | Cannabinoid receptor 1 | 2 |
| 24900484 | 10.1021/ml3000325 | Liver microsomes | 1 |
| 24900484 | 10.1021/ml3000325 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine