Compound Detail
CHEMBL181856
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Basic Information
| ChEMBL ID | CHEMBL181856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLAIATWJFHZYCZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.71 | 5.71 | 1950.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1950.0 | nM | 5.71 | Inhibition of human Glycogen synthase kinase-3 beta | 15225695 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of Vascular endothelial growth factor receptor 2 kinase | 15225695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Glycogen synthase kinase-3 beta | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Cyclin-dependent kinase 2 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine