Compound Detail
CHEMBL564929
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Cc1ccc(C(=O)n2cc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL564929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCFKXALHTJRKPL-RDRPBHBLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
2.94
ALogP
11
HBA
1
HBD
110.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.64 | 5.64 | 2299.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2299.0 | nM | 5.64 | Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells... | 19520572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Cannabinoid receptor 1 | 2 |
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine