Compound Detail
CHEMBL407730
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Basic Information
| ChEMBL ID | CHEMBL407730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVTRGRMOTBJXKF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.69
ALogP
6
HBA
3
HBD
97.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.68 | 7.68 | 20.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 21.0 | nM | 7.68 | Inhibitory activity to human glycogen synthase kinase-3 alpha (GSK-3alpha) was d... | 12941332 |
| Glycogen synthase kinase-3 beta | IC50 | = | 21.0 | nM | 7.68 | Inhibition of recombinant GSK3-beta | 18324764 |
| Unchecked | IC50 | = | 21.0 | nM | 7.68 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 20.89 | nM | 7.68 | Inhibition of GSK3 | 17707953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Unchecked | 2 |
| 12941332 | 10.1016/s0960-894x(03)00645-0 | Glycogen synthase kinase-3 alpha | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine