Compound Detail
CHEMBL261439
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Basic Information
| ChEMBL ID | CHEMBL261439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJWFRUYKFYDTSQ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
2.21
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.37 | 6.37 | 426.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 430.0 | nM | 6.37 | Inhibition against human glycogen synthase kinase-3alpha (hGSK-3). | 12699759 |
| Glycogen synthase kinase-3 beta | IC50 | = | 430.0 | nM | 6.37 | Inhibition of recombinant GSK3-beta | 18324764 |
| Unchecked | IC50 | = | 430.0 | nM | 6.37 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 426.58 | nM | 6.37 | Inhibition of GSK3 | 17707953 |
| Glycogen synthase kinase-3 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of glycogen synthase kinase-3 (unknown origin) | 26562543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Unchecked | 2 |
| 12699759 | 10.1016/s0960-894x(03)00134-3 | Glycogen synthase kinase-3 alpha | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
| 26562543 | 10.1016/j.ejmech.2015.10.018 | Glycogen synthase kinase-3 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine