Compound Detail
CHEMBL200121
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Basic Information
| ChEMBL ID | CHEMBL200121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUAYHPSOKPDUPI-QXMHVHEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.8
MW (Da)
8.96
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 3700.0 | nM | 5.43 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor | 16213718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16213718 | 10.1016/j.bmcl.2005.09.023 | Cannabinoid receptor 1 | 1 |
| 16213718 | 10.1016/j.bmcl.2005.09.023 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine