Compound Detail
CHEMBL345800
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 | CHEMBL345800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYBQDPOCAWUSJF-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
379.2
MW (Da)
3.19
ALogP
5
HBA
3
HBD
87.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Ki 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Serine/threonine-protein kinase 10 CHEMBL3981 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 82.0 | nM | 7.09 | Inhibition of recombinant GSK3-beta | 18324764 |
| STE20-like serine/threonine-protein kinase | Ki | = | 110.0 | nM | 6.96 | Binding affinity human SLK by binding displacement assay | 34463505 |
| Serine/threonine-protein kinase 10 | Ki | = | 590.0 | nM | 6.23 | Binding affinity human STK10 by binding displacement assay | 34463505 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 82000.0 | nM | 4.09 | Inhibitory concentration was determined against human glycogen synthase kinase-3... | 11266159 |
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 |
| 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 |
Data from ChEMBL 36 via Core Engine