Compound Detail
CHEMBL4852553
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Basic Information
| ChEMBL ID | CHEMBL4852553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOMUPPBQAZTNGK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.87
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.71 | 6.71 | 195.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.64 | 6.64 | 229.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 194.98 | nM | 6.71 | Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CH... | 33915369 |
| Cannabinoid receptor 1 | Ki | = | 196.0 | nM | 6.71 | Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CH... | 33915369 |
| Cannabinoid receptor 2 | Ki | = | 229.09 | nM | 6.64 | Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CH... | 33915369 |
| Cannabinoid receptor 2 | Ki | = | 231.0 | nM | 6.64 | Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CH... | 33915369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33915369 | 10.1016/j.ejmech.2021.113354 | Cannabinoid receptor 1 | 3 |
| 33915369 | 10.1016/j.ejmech.2021.113354 | Cannabinoid receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine