Compound Detail
CHEMBL303479
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Basic Information
| ChEMBL ID | CHEMBL303479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAAJNVWIOIOMPO-IPKCRJEZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
382.6
MW (Da)
7.39
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.27 | 8.27 | 5.4 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.65 | 7.65 | 22.3 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.65 | 7.65 | 22.3 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.23 | 7.23 | 58.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 5.4 | nM | 8.27 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 1 | Ki | = | 22.3 | nM | 7.65 | Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes. | 10465529 |
| Cannabinoid receptor 1 | Ki | = | 22.3 | nM | 7.65 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Ki | = | 58.6 | nM | 7.23 | Binding affinity towards Cannabinoid receptor 2 in mouse spleen membranes | 10465529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10465529 | 10.1016/s0960-894x(99)00355-8 | Cannabinoid receptor 1 | 1 |
| 10465529 | 10.1016/s0960-894x(99)00355-8 | Cannabinoid receptor 2 | 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 |
Data from ChEMBL 36 via Core Engine