Compound Detail
CHEMBL4294653
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Basic Information
| ChEMBL ID | CHEMBL4294653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPGRJOFVSNBPMQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
5.38
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.71 | 5.71 | 1969.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.41 | 5.41 | 3918.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1969.0 | nM | 5.71 | Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expres... | 29407590 |
| Cannabinoid receptor 1 | Ki | = | 3918.0 | nM | 5.41 | Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expres... | 29407590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Cannabinoid receptor 2 | 5 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Cannabinoid receptor 1 | 5 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | HEK293 | 2 |
| 29407590 | 10.1016/j.ejmech.2017.11.076 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine