Compound Detail
CHEMBL4438334
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 | CHEMBL4438334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCKLQXXBRWCYMA-FQEVSTJZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.17
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 7.18 | 7.18 | 66.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.29 | 6.29 | 507.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 66.0 | nM | 7.18 | Inhibition of human GSK-3alpha by mobility shift micro-fluidic assay | 30925338 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 66.0 | nM | 7.18 | Caliper Assay: A selection of compounds was screened against a selected panel of... | - |
| Glycogen synthase kinase-3 beta | IC50 | = | 515.0 | nM | 6.29 | Inhibition of human GSK-3beta by mobility shift micro-fluidic assay | 30925338 |
| Glycogen synthase kinase-3 beta | IC50 | = | 507.0 | nM | 6.29 | Caliper Assay: A selection of compounds was screened against a selected panel of... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 alpha | 1 |
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine