Compound Detail
CHEMBL5419370
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Basic Information
| ChEMBL ID | CHEMBL5419370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDLDHQANIGAJCG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.10
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 54.0 | nM | 7.27 | Inhibition of human wildtype full length GSK-3beta | 37536264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37536264 | 10.1016/j.bmc.2023.117406 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine