Compound Detail
CHEMBL578576
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Basic Information
| ChEMBL ID | CHEMBL578576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUPJTDKQLVRRDB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.8
MW (Da)
7.25
ALogP
4
HBA
0
HBD
35.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | 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 | = | 4.9 | nM | 8.31 | Displacement of [3H]SR141716A from rat brain CB1 receptor | 19683918 |
| Cannabinoid receptor 1 | Ki | = | 9.0 | nM | 8.05 | Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma... | 19683918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19683918 | 10.1016/j.bmcl.2009.07.130 | Cannabinoid receptor 1 | 2 |
| 19683918 | 10.1016/j.bmcl.2009.07.130 | Liver microsomes | 1 |
| 19683918 | 10.1016/j.bmcl.2009.07.130 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine