Compound Detail
CHEMBL326705
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Basic Information
| ChEMBL ID | CHEMBL326705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIBIAWNWSWZFSR-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
1.07
ALogP
11
HBA
2
HBD
153.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.55
EC50 3 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.55 | 6.55 | 280.0 | 4 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 5.73 | 5.345 | 1850.0 | 2 |
| CHO CHEMBL613853 | EC50 | 5.73 | 5.73 | 1850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 280.0 | nM | 6.55 | Inhibitory activity against human glycogen synthase kinase-3beta (GSK3-beta) at ... | 12852764 |
| Glycogen synthase kinase-3 beta | IC50 | = | 280.0 | nM | 6.55 | Inhibition of GSK3-beta | 15559249 |
| Glycogen synthase kinase-3 beta | IC50 | = | 280.0 | nM | 6.55 | Inhibition of human GSK3beta using YRRAAVPPSPSLSRHSSPHQS(PO4)EDEEENH as substrat... | 27689729 |
| Glycogen synthase kinase-3 beta | IC50 | = | 280.0 | nM | 6.55 | Inhibition of GSK3beta (unknown origin) | 33569941 |
| Glycogen synthase kinase-3 beta | EC50 | = | 1850.0 | nM | 5.73 | Stimulation of glycogen synthase in CHO cells expressing human insulin receptor | 12852764 |
| CHO | EC50 | = | 1850.0 | nM | 5.73 | Antiproliferative activity against CHO cells assessed as reduction in cell proli... | 33569941 |
| Glycogen synthase kinase-3 beta | EC50 | = | 11050.0 | nM | 4.96 | 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 |
| 15559249 | 10.1016/j.tips.2004.07.006 | Glycogen synthase kinase-3 beta | 1 |
| 15559249 | 10.1016/j.tips.2004.07.006 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 27689729 | 10.1016/j.ejmech.2016.09.058 | Glycogen synthase kinase-3 beta | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Glycogen synthase kinase-3 beta | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Cyclin-dependent kinase 2 | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | CHO | 1 |
Data from ChEMBL 36 via Core Engine