Compound Detail
CHEMBL490842
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Basic Information
| ChEMBL ID | CHEMBL490842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLCGQIDCJUYXSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
3.51
ALogP
5
HBA
2
HBD
101.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1.2 | nM | 8.92 | Inhibition of human GSK3-beta by scintillation counting | 19338355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19338355 | 10.1021/jm801317h | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine