Compound Detail
CHEMBL4574497
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Basic Information
| ChEMBL ID | CHEMBL4574497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYPKRSZPIRSYDL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
7.13
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.11 | 7.11 | 77.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.83 | 5.83 | 1482.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 77.3 | nM | 7.11 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell me... | 27309150 |
| Cannabinoid receptor 1 | Ki | = | 1482.0 | nM | 5.83 | Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA ce... | 27309150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Cannabinoid receptor 2 | 3 |
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Unchecked | 2 |
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Cannabinoid receptor 1 | 1 |
| 27309150 | 10.1021/acs.jmedchem.6b00397 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine