Compound Detail
CHEMBL361196
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Basic Information
| ChEMBL ID | CHEMBL361196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMJDKJPJZVMOIF-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
2.63
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
EC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| L6 CHEMBL614793 | EC50 | 6.13 | 6.13 | 740.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.49 | 5.49 | 3240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human Glycogen synthase kinase-3 beta | 15225695 |
| Glycogen synthase kinase-3 beta | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Glycogen synthase kinase-3 beta (unknown origin) | 30616053 |
| Cyclin-dependent kinase 2 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of cyclin-dependent kinase 2 | 15225695 |
| L6 | EC50 | = | 740.0 | nM | 6.13 | Potency of compound in glycogen accumulation in L6 cells | 15225695 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3240.0 | nM | 5.49 | 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 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | L6 | 1 |
| 30616053 | 10.1016/j.ejmech.2018.12.073 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine