Compound Detail
CHEMBL335357
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Basic Information
| ChEMBL ID | CHEMBL335357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPHPHNFENFXVBJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.5
MW (Da)
2.93
ALogP
2
HBA
0
HBD
17.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory activity against glycogen synthase kinase-3 (GSK-3beta). | 14561081 |
| Glycogen synthase kinase-3 beta | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of GSK3-beta by liquid scintillation counting | 19747834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561081 | 10.1021/jm034108b | Glycogen synthase kinase-3 beta | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine