Compound Detail
CHEMBL347681
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Basic Information
| ChEMBL ID | CHEMBL347681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTOGUEKUZBZZGH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.2
MW (Da)
3.09
ALogP
6
HBA
3
HBD
121.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 71.0 | nM | 7.15 | Inhibition of recombinant GSK3-beta | 18324764 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 71000.0 | nM | 4.15 | Inhibitory concentration was determined against human glycogen synthase kinase-3... | 11266159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Glycogen synthase kinase-3 alpha | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine