Compound Detail
CHEMBL4104374
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Basic Information
| ChEMBL ID | CHEMBL4104374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCFZFGYTYAHOAN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.98
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Ki 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.02 | 6.02 | 961.8 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 961.8 | nM | 6.02 | Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membr... | 29400965 |
| Cannabinoid receptor 2 | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membr... | 29400965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29400965 | 10.1021/acs.jmedchem.7b01760 | Cannabinoid receptor 2 | 2 |
| 29400965 | 10.1021/acs.jmedchem.7b01760 | Acetylcholinesterase | 1 |
| 29400965 | 10.1021/acs.jmedchem.7b01760 | Cannabinoid receptor 1 | 1 |
| 29400965 | 10.1021/acs.jmedchem.7b01760 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine