Compound Detail
CHEMBL63727
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Basic Information
| ChEMBL ID | CHEMBL63727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYTNUXIIMYFFMP-UFFVCSGVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
2.66
ALogP
7
HBA
1
HBD
80.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
EC50 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2095188 | EC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 100.0 | nM | 7.0 | Ability to inhibit 50% glycogen synthase kinase-3 beta of recombinant human, exp... | 15080992 |
| Glycogen synthase kinase-3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of glycogen synthase kinase-3 (GSK3-beta) | 15080993 |
| Glycogen synthase kinase-3 | EC50 | = | 1220.0 | nM | 5.91 | 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 |
| 15080992 | 10.1016/j.bmcl.2004.02.036 | Glycogen synthase kinase-3 beta | 1 |
| 15080993 | 10.1016/j.bmcl.2004.02.037 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine