Compound Detail
CHEMBL4452978
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Basic Information
| ChEMBL ID | CHEMBL4452978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSEUBSIOCPHOEN-YRNVUSSQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
1.99
ALogP
4
HBA
3
HBD
91.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 6.51 | 6.51 | 309.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.13 | 6.13 | 743.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 309.0 | nM | 6.51 | Inhibition of human GSK-3alpha S449A mutant (2 to end residues) using phospho GS... | 30925338 |
| Glycogen synthase kinase-3 beta | IC50 | = | 743.0 | nM | 6.13 | Inhibition of human GSK-3beta H350L mutant (2 to end residues) at 10 uM using ph... | 30925338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 alpha | 2 |
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 beta | 2 |
Data from ChEMBL 36 via Core Engine