Compound Detail
CHEMBL4749825
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Basic Information
| ChEMBL ID | CHEMBL4749825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUGFOURPPWFBHT-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.3
MW (Da)
5.01
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.62
Ki 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.69 | 6.69 | 204.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.62 | 6.04 | 239.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 204.0 | nM | 6.69 | Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor exp... | 33550084 |
| Cannabinoid receptor 2 | EC50 | = | 239.88 | nM | 6.62 | Inverse agonist activity at human recombinant cannabinoid CB2 receptor expressed... | 33550084 |
| Cannabinoid receptor 2 | EC50 | = | 3467.37 | nM | 5.46 | Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assesse... | 33550084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33550084 | 10.1016/j.bmc.2021.116035 | Cannabinoid receptor 1 | 5 |
| 33550084 | 10.1016/j.bmc.2021.116035 | Cannabinoid receptor 2 | 5 |
| 33550084 | 10.1016/j.bmc.2021.116035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine