Compound Detail
CHEMBL260417
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Basic Information
| ChEMBL ID | CHEMBL260417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNVKSDCWJDOWNE-UHFFFAOYSA-N |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
373.2
MW (Da)
3.44
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 9.1 | 9.1 | 0.8 | 3 |
| Unchecked CHEMBL612545 | IC50 | 9.1 | 9.0967 | 0.8 | 3 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 0.8 | nM | 9.1 | Inhibitory concentration against glycogen synthase kinase-3 alpha | 12941333 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 0.8 | nM | 9.1 | Inhibitory activity to human glycogen synthase kinase-3 alpha (GSK-3alpha) was d... | 12941332 |
| Glycogen synthase kinase-3 beta | IC50 | = | 0.8 | nM | 9.1 | Inhibition of recombinant GSK3-beta | 18324764 |
| Unchecked | IC50 | = | 0.8 | nM | 9.1 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 0.8 | nM | 9.1 | Inhibition of GSK3 | 18625560 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 0.8 | nM | 9.1 | Inhibition of human GSK3alpha | 29306837 |
| Unchecked | IC50 | = | 0.8128 | nM | 9.09 | Inhibition of GSK3 | 17707953 |
| Cyclin-dependent kinase 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibitory concentration against cyclin-dependent kinase 2 | 12941333 |
| Cyclin-dependent kinase 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of CDK2 | 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 | 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 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C eta type | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C iota type | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C alpha type | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK beta | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C gamma type | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C theta type | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK alpha | 2 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine