Compound Detail
CHEMBL2179738
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 | CHEMBL2179738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NECWYJYYSPOXIH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
4.72
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.51 | 6.51 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 310.0 | nM | 6.51 | Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incub... | 23072339 |
| Cannabinoid receptor 2 | Ki | = | 310.0 | nM | 6.51 | Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incub... | 23072339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23072339 | 10.1021/jm301212u | Cannabinoid receptor 2 | 2 |
| 23072339 | 10.1021/jm301212u | Unchecked | 1 |
| 23072339 | 10.1021/jm301212u | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine