Compound Detail
CHEMBL160373
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Basic Information
| ChEMBL ID | CHEMBL160373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWBKUWJEWLWOTH-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
1.88
ALogP
5
HBA
3
HBD
87.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
Ki 2 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.33 | 6.33 | 472.0 | 1 |
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Ki | 6.13 | 6.13 | 740.0 | 1 |
| Serine/threonine-protein kinase 10 CHEMBL3981 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 472.0 | nM | 6.33 | Inhibition of recombinant GSK3-beta | 18324764 |
| STE20-like serine/threonine-protein kinase | Ki | = | 740.0 | nM | 6.13 | Binding affinity human SLK by binding displacement assay | 34463505 |
| Serine/threonine-protein kinase 10 | Ki | = | 4100.0 | nM | 5.39 | Binding affinity human STK10 by binding displacement assay | 34463505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Glycogen synthase kinase-3 alpha | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | STE20-like serine/threonine-protein kinase | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Serine/threonine-protein kinase 10 | 1 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Unchecked | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek1 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek2 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek3 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek4 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek5 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek6 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek7 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek9 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek10 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek11 | 1 |
Data from ChEMBL 36 via Core Engine