Compound Detail
CHEMBL69687
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Basic Information
| ChEMBL ID | CHEMBL69687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTEDJGZRXQWYSZ-YCPBAFNGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.54
ALogP
9
HBA
2
HBD
130.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.62
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2095188 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 5.012 | nM | 8.3 | Inhibition of glycogen synthase kinase-3 (GSK3-beta) | 15080993 |
| Glycogen synthase kinase-3 | EC50 | = | 240.0 | nM | 6.62 | Inhibition of glycogen synthesis in rat skeletal muscle L6 cells | 15080993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15080993 | 10.1016/j.bmcl.2004.02.037 | Glycogen synthase kinase-3 | 3 |
| 15080993 | 10.1016/j.bmcl.2004.02.037 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine