Compound Detail
CHEMBL4752997
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Basic Information
| ChEMBL ID | CHEMBL4752997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZLCRGDLEDOHCD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
4.01
ALogP
4
HBA
2
HBD
81.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.55
Ki 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.74 | 5.74 | 1839.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 5.55 | 5.55 | 2818.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1839.0 | nM | 5.74 | Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor exp... | 33550084 |
| Cannabinoid receptor 2 | EC50 | = | 2818.38 | nM | 5.55 | Inverse agonist activity at human recombinant cannabinoid CB2 receptor expressed... | 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