Compound Detail
CHEMBL67464
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Basic Information
| ChEMBL ID | CHEMBL67464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGXKCMQANRHRCO-RTBURBONSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
6.52
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 9.41 | 8.545 | 0.4 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 9.37 | 8.3633 | 0.4 | 3 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.66 | 7.66 | 21.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.39 | nM | 9.41 | Binding affinity towards Cannabinoid receptor 2 in mouse spleen membranes | 10465529 |
| Cannabinoid receptor 1 | Ki | = | 0.43 | nM | 9.37 | Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes. | 10465529 |
| Cannabinoid receptor 1 | Ki | = | 8.8 | nM | 8.06 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain synaptosomal membran... | 17672444 |
| Cannabinoid receptor 2 | Ki | = | 20.8 | nM | 7.68 | Displacement of [3H]CP-55940 from CB2 receptor in mouse spleen membrane | 17672444 |
| Cannabinoid receptor 1 | Ki | = | 22.0 | nM | 7.66 | Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55940 | 12852753 |
| Cannabinoid receptor 1 | Ki | = | 21.88 | nM | 7.66 | Binding affinity at CB1 receptor | 17980589 |
| Cannabinoid receptor 1 | Ki | = | 22.0 | nM | 7.66 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 21.88 | nM | 7.66 | Binding affinity to CB1 receptor | 17521177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 1 | 2 |
| 10465529 | 10.1016/s0960-894x(99)00355-8 | Cannabinoid receptor 1 | 1 |
| 10465529 | 10.1016/s0960-894x(99)00355-8 | Cannabinoid receptor 2 | 1 |
| 12852753 | 10.1021/jm020558c | Cannabinoid receptor 1 | 1 |
| 12852753 | 10.1021/jm020558c | Cannabinoid receptor 2 | 1 |
| 17672444 | 10.1021/jm070121a | Cannabinoid receptor 1 | 1 |
| 17672444 | 10.1021/jm070121a | Cannabinoid receptor 2 | 1 |
| 17980589 | 10.1016/j.bmcl.2007.10.044 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine