Compound Detail
CHEMBL199561
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Basic Information
| ChEMBL ID | CHEMBL199561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJPGJHLVEUSRRA-QZTJIDSGSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
6.85
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.37 | 9.37 | 0.4 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.4 | nM | 9.4 | Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorptio... | 21306896 |
| Cannabinoid receptor 1 | Ki | = | 0.43 | nM | 9.37 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 1 | EC50 | = | 10.0 | nM | 8.0 | Displacement of [35S]GTP-gamma-S from rat cerebellar CB1 receptor | 16420041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420041 | 10.1021/jm0505157 | Cannabinoid receptor 1 | 2 |
| 21306896 | 10.1016/j.bmcl.2011.01.037 | Vascular endothelial growth factor receptor 2 | 2 |
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine