Compound Detail
CHEMBL418353
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Basic Information
| ChEMBL ID | CHEMBL418353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLGAUBPACOBAMV-DOFZRALJSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
343.6
MW (Da)
6.41
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.66
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.66 | 8.615 | 2.2 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.8 | 6.8 | 157.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 6.4 | 6.4 | 398.1 | 1 |
| Cannabinoid receptor 2 CHEMBL2470 | Ki | 6.15 | 6.15 | 715.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2.2 | nM | 8.66 | Displacement of [3H]-CP55940 from CB1 receptor of rat cerebellar membranes by li... | 23865723 |
| Cannabinoid receptor 1 | Ki | = | 2.7 | nM | 8.57 | Binding affinity towards rat brain cannabinoid receptor 1 in the presence of PMS... | 16190768 |
| Cannabinoid receptor 2 | Ki | = | 157.0 | nM | 6.8 | Binding affinity towards mouse spleen cannabinoid receptor 2 in the presence of ... | 16190768 |
| Cannabinoid receptor 1 | EC50 | = | 398.11 | nM | 6.4 | Displacement of [35S]GTP-gamma-S from rat cerebellar CB1 receptor | 16420041 |
| Cannabinoid receptor 2 | Ki | = | 715.0 | nM | 6.15 | Displacement of [3H]-CP55940 from CB2 receptor of rat spleen membranes by liquid... | 23865723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420041 | 10.1021/jm0505157 | Cannabinoid receptor 1 | 2 |
| 10328303 | 10.1016/s0960-894x(99)00148-1 | Rattus norvegicus | 1 |
| 16190768 | 10.1021/jm050272i | Cannabinoid receptor 1 | 1 |
| 16190768 | 10.1021/jm050272i | Cannabinoid receptor 2 | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 1 | 1 |
| 23865723 | 10.1021/jm4005626 | Unchecked | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine