Compound Detail
CHEMBL357136
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Basic Information
| ChEMBL ID | CHEMBL357136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVHYHNZCCIEQQA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.69
ALogP
2
HBA
0
HBD
17.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.3 | 6.3 | 500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 500.0 | nM | 6.3 | Inhibitory activity against glycogen synthase kinase-3 (GSK-3beta). | 14561081 |
| Glycogen synthase kinase-3 beta | IC50 | = | 500.0 | nM | 6.3 | Inhibition of GSK3-beta by liquid scintillation counting | 19747834 |
| Glycogen synthase kinase-3 beta | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human recombinant GSK3beta expressed in Escherichia coli using GS-... | 27131621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19747834 | 10.1016/j.bmc.2009.08.042 | Unchecked | 7 |
| 27131621 | 10.1016/j.ejmech.2016.03.035 | Aspergillus fumigatus | 5 |
| 27131621 | 10.1016/j.ejmech.2016.03.035 | Aspergillus nidulans | 2 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 27131621 | 10.1016/j.ejmech.2016.03.035 | Glycogen synthase kinase-3 beta | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Sodium-dependent serotonin transporter | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Glutamate NMDA receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | D(3) dopamine receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | D(2) dopamine receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Alpha-2A adrenergic receptor | 1 |
| 14561081 | 10.1021/jm034108b | Glycogen synthase kinase-3 beta | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Insulin receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Epidermal growth factor receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Tyrosine-protein kinase ABL1 | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Glycogen synthase kinase-3 beta | 1 |
| 14561081 | 10.1021/jm034108b | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine