Compound Detail
CHEMBL421685
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 | CHEMBL421685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDVNGJPAVZIJIP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
4.92
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.17 | 5.17 | 6680.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.11 | 5.11 | 7840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 6680.0 | nM | 5.17 | Evaluated for binding affinity against recombinant human central cannabinoid rec... | - |
| Cannabinoid receptor 2 | Ki | = | 7840.0 | nM | 5.11 | Evaluated for binding affinity against recombinant human peripheral cannabinoid ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00426-X | Cannabinoid receptor 2 | 1 |
| - | 10.1016/0960-894X(96)00426-X | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine