Compound Detail
CHEMBL4218835
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Basic Information
| ChEMBL ID | CHEMBL4218835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BARJBEHYTMHBBK-ZUIPPAGJSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.7
MW (Da)
6.74
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.12
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.81 | 7.75 | 15.6 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.66 | 7.66 | 22.1 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.32 | 7.32 | 47.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 15.6 | nM | 7.81 | Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presen... | 30196704 |
| Cannabinoid receptor 1 | Ki | = | 20.3 | nM | 7.69 | Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in absenc... | 30196704 |
| Cannabinoid receptor 2 | Ki | = | 22.1 | nM | 7.66 | Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell m... | 30196704 |
| Cannabinoid receptor 2 | Ki | = | 47.7 | nM | 7.32 | Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell m... | 30196704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Cannabinoid receptor 1 | 2 |
| 30196704 | 10.1021/acs.jmedchem.8b00611 | Cannabinoid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine