Compound Detail
CHEMBL113168
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Basic Information
| ChEMBL ID | CHEMBL113168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRLORKBIDYIINM-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
0.59
ALogP
10
HBA
2
HBD
140.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.72
IC50 2 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 4.72 | 4.48 | 19070.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1160.0 | nM | 5.94 | Inhibitory activity against human glycogen synthase kinase-3beta (GSK3-beta) at ... | 12852764 |
| Glycogen synthase kinase-3 beta | EC50 | = | 19070.0 | nM | 4.72 | Stimulation of glycogen synthase in CHO cells expressing human insulin receptor | 12852764 |
| Glycogen synthase kinase-3 beta | EC50 | = | 57530.0 | nM | 4.24 | Induced beta-casein protein expression in the CHO-hIR cell line | 12852764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852764 | 10.1021/jm021095d | Glycogen synthase kinase-3 beta | 4 |
| 12852764 | 10.1021/jm021095d | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine