Compound Detail
CHEMBL217094
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Basic Information
| ChEMBL ID | CHEMBL217094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFKWLGOHFQBVAA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
3.05
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 3.3 | nM | 8.48 | Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen | 17004710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36657299 | 10.1016/j.ejmech.2023.115109 | THP-1 | 72 |
| 36542836 | 10.1021/acs.jmedchem.2c01084 | THP-1 | 3 |
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor 1 | 1 |
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor 2 | 1 |
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine