Compound Detail
CHEMBL476529
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL476529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMRDWMVRJNJYIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
6.16
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.24 | 7.24 | 58.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 58.0 | nM | 7.24 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 18579386 |
| Cannabinoid receptor 2 | Ki | = | 7900.0 | nM | 5.1 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18579386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579386 | 10.1016/j.bmc.2008.06.001 | Cannabinoid receptor 1 | 2 |
| 18579386 | 10.1016/j.bmc.2008.06.001 | Cannabinoid receptor 2 | 1 |
| 18579386 | 10.1016/j.bmc.2008.06.001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine