Compound Detail
CHEMBL181959
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Basic Information
| ChEMBL ID | CHEMBL181959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFCRCCSSNULXBB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
4.03
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.52 | 7.51 | 30.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human Glycogen synthase kinase-3 beta | 15225695 |
| Glycogen synthase kinase-3 beta | IC50 | = | 32.0 | nM | 7.5 | Inhibition of Glycogen synthase kinase-3 beta (unknown origin) | 30616053 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1020.0 | nM | 5.99 | 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 |
| 30616053 | 10.1016/j.ejmech.2018.12.073 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine