Compound Detail
CHEMBL140045
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL140045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRHBEDSUTAGRQV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
195.1
MW (Da)
2.82
ALogP
2
HBA
0
HBD
17.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.0 | 5.0 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against glycogen synthase kinase-3 (GSK-3beta). | 14561081 |
| Glycogen synthase kinase-3 beta | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of GSK3-beta by liquid scintillation counting | 19747834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19747834 | 10.1016/j.bmc.2009.08.042 | Unchecked | 7 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Glycogen synthase kinase-3 beta | 2 |
| 14561081 | 10.1021/jm034108b | Glycogen synthase kinase-3 beta | 1 |
| 14561081 | 10.1021/jm034108b | cAMP-dependent protein kinase (PKA) | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Tyrosine-protein kinase ABL1 | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Epidermal growth factor receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Insulin receptor | 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 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Alpha-2A adrenergic receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | D(2) dopamine receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | D(3) dopamine receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Glutamate NMDA receptor | 1 |
| 19747834 | 10.1016/j.bmc.2009.08.042 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine