Compound Detail
CHEMBL157258
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Basic Information
| ChEMBL ID | CHEMBL157258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLELAEGDEATZFN-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
383.6
MW (Da)
3.83
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Ki 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Serine/threonine-protein kinase 10 CHEMBL3981 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 93.0 | nM | 7.03 | Inhibition of recombinant GSK3-beta | 18324764 |
| STE20-like serine/threonine-protein kinase | Ki | = | 300.0 | nM | 6.52 | Binding affinity human SLK by binding displacement assay | 34463505 |
| Serine/threonine-protein kinase 10 | Ki | = | 2300.0 | nM | 5.64 | Binding affinity human STK10 by binding displacement assay | 34463505 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 93000.0 | nM | 4.03 | Inhibitory concentration was determined against human glycogen synthase kinase-3... | 11266159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase ABL1 | 14 |
| - | 10.6019/CHEMBL1961873 | Epidermal growth factor receptor | 10 |
| - | 10.6019/CHEMBL1961873 | Mast/stem cell growth factor receptor Kit | 8 |
| - | 10.6019/CHEMBL1961873 | Platelet-derived growth factor receptor alpha | 8 |
| - | 10.6019/CHEMBL1961873 | Proto-oncogene tyrosine-protein kinase receptor Ret | 6 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 10.6019/CHEMBL1961873 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase beta-1 | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-5 | 2 |
| - | 10.6019/CHEMBL1961873 | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C alpha type | 2 |
| - | 10.6019/CHEMBL1961873 | Rhodopsin kinase GRK7 | 2 |
| - | 10.6019/CHEMBL1961873 | G protein-coupled receptor kinase 6 | 2 |
| - | 10.6019/CHEMBL1961873 | RAC-alpha serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D3 | 2 |
Data from ChEMBL 36 via Core Engine