Compound Detail
CHEMBL217549
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Basic Information
| ChEMBL ID | CHEMBL217549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSWGVXSESQPWML-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.20
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.08
EC50 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.08 | 8.08 | 8.4 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 7.43 | 7.43 | 37.5 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | EC50 | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 8.4 | nM | 8.08 | Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen | 17004710 |
| Cannabinoid receptor 1 | Ki | = | 37.5 | nM | 7.43 | Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain | 17004710 |
| Cannabinoid receptor 1 | EC50 | = | 138.0 | nM | 6.86 | Activity at CB1 receptor assessed as stimulation of [35S]GTP-gamma-S binding in ... | 17004710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor 1 | 4 |
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor 2 | 1 |
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine