Compound Detail
CHEMBL407981
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 | CHEMBL407981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIQRMBNAYWCUEG-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
487.4
MW (Da)
3.45
ALogP
6
HBA
3
HBD
97.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.22 | 7.22 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 4.0 | nM | 8.4 | Inhibitory concentration against glycogen synthase kinase-3 alpha | 12941333 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 4.0 | nM | 8.4 | Inhibitory activity to human glycogen synthase kinase-3 alpha (GSK-3alpha) was d... | 12941332 |
| Glycogen synthase kinase-3 beta | IC50 | = | 4.0 | nM | 8.4 | Inhibition of recombinant GSK3-beta | 18324764 |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 3.981 | nM | 8.4 | Inhibition of GSK3 | 17707953 |
| Cyclin-dependent kinase 2 | IC50 | = | 60.0 | nM | 7.22 | Inhibitory concentration against cyclin-dependent kinase 2 | 12941333 |
| Cyclin-dependent kinase 2 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of CDK2 | 17707953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Unchecked | 2 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Glycogen synthase kinase-3 alpha | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Cyclin-dependent kinase 2 | 1 |
| 12941332 | 10.1016/s0960-894x(03)00645-0 | Glycogen synthase kinase-3 alpha | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine