Compound Detail
CHEMBL4437727
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 | CHEMBL4437727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPXGKDDVLVKDHP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.6
MW (Da)
4.48
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.29 | 7.29 | 50.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 50.7 | nM | 7.29 | Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell... | 30359820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30359820 | 10.1016/j.ejmech.2018.09.070 | Cannabinoid receptor 1 | 2 |
| 30359820 | 10.1016/j.ejmech.2018.09.070 | Cannabinoid receptor 2 | 2 |
| 30359820 | 10.1016/j.ejmech.2018.09.070 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine