Compound Detail
CHEMBL325353
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Basic Information
| ChEMBL ID | CHEMBL325353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPRZEIPPEOHGJW-KEBDBYFISA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
0.38
ALogP
11
HBA
2
HBD
153.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
EC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 5.54 | 5.44 | 2850.0 | 2 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 4.02 | 4.02 | 96000.0 | 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 | Inhibitory activity against human glycogen synthase kinase-3beta (GSK3-beta) at ... | 12852764 |
| Glycogen synthase kinase-3 beta | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human GSK3-beta | 18929433 |
| Glycogen synthase kinase-3 beta | EC50 | = | 2850.0 | nM | 5.54 | Stimulation of glycogen synthase in CHO cells expressing human insulin receptor | 12852764 |
| Glycogen synthase kinase-3 beta | EC50 | = | 4540.0 | nM | 5.34 | Induced beta-casein protein expression in the CHO-hIR cell line | 12852764 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 96000.0 | nM | 4.02 | Inhibition of Cyclin-dependent kinase 2-cyclin A | 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 |
| 18929433 | 10.1016/j.ejmech.2008.08.012 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine