Compound Detail
CHEMBL261129
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Basic Information
| ChEMBL ID | CHEMBL261129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSHCILRNXWKQAL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
3.37
ALogP
5
HBA
3
HBD
94.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity to human glycogen synthase kinase-3 alpha (GSK-3alpha) was d... | 12941332 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant GSK3-beta | 18324764 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of GSK3 | 17707953 |
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 | Platelet-derived growth factor receptor alpha | 8 |
| - | 10.6019/CHEMBL1961873 | Mast/stem cell growth factor receptor Kit | 8 |
| - | 10.6019/CHEMBL1961873 | Proto-oncogene tyrosine-protein kinase receptor Ret | 6 |
| - | 10.6019/CHEMBL1961873 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Casein kinase I isoform alpha | 2 |
| - | 10.6019/CHEMBL1961873 | Casein kinase I isoform gamma-1 | 2 |
| - | 10.6019/CHEMBL1961873 | Casein kinase I isoform gamma-2 | 2 |
| - | 10.6019/CHEMBL1961873 | Casein kinase I isoform gamma-3 | 2 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 1 | 2 |
| - | 10.6019/CHEMBL1961873 | Testis-specific serine/threonine-protein kinase 2 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase SIK2 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase SIK1 | 2 |
| - | 10.6019/CHEMBL2007661 | Serine/threonine-protein kinase TBK1 | 2 |
Data from ChEMBL 36 via Core Engine