Compound Detail
CHEMBL294013
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Basic Information
| ChEMBL ID | CHEMBL294013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJIIKHXAZBTGLF-NHCUHLMSSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
384.6
MW (Da)
7.55
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.93 | 7.7833 | 11.8 | 3 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.31 | 5.31 | 4888.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 11.8 | nM | 7.93 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Ki | = | 19.4 | nM | 7.71 | Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]... | - |
| Cannabinoid receptor 2 | Ki | = | 19.4 | nM | 7.71 | Binding affinity to human CB2 receptor | 23865723 |
| Cannabinoid receptor 1 | Ki | = | 4888.0 | nM | 5.31 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor 2 | 1 |
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 2 | 1 |
| 23865723 | 10.1021/jm4005626 | Unchecked | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine