Compound Detail
CHEMBL3234035
PRS-211375 🧪 Phase II
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🧪 Phase II
CCCCCCC(C)(C)c1cc(O)c([C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)c(OC(=O)/C=C/C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL3234035 |
| Name | PRS-211375 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GSTZHANFXAKPSE-MXTREEOPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
4
Known Names
1
Mechanisms
Molecular Properties
470.6
MW (Da)
5.91
ALogP
5
HBA
2
HBD
100.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cannabinoid CB2 receptor agonist | AGONIST | Cannabinoid receptor 2 | ✓ | ✓ |
Activity Summary
Ki 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.48 | 6.48 | 334.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 9.0 | nM | 8.05 | Binding affinity to human CB2 receptor | 23865723 |
| Cannabinoid receptor 1 | Ki | = | 334.0 | nM | 6.48 | Binding affinity to human CB1 receptor | 23865723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| 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