Compound Detail
CHEMBL156987
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Basic Information
| ChEMBL ID | CHEMBL156987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONVZFCHLOZUXRP-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
3.17
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.12
Kd 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | Kd | 7.4 | 7.4 | 40.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.12 | 7.0133 | 76.0 | 3 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | Kd | = | 40.0 | nM | 7.4 | Binding affinity to GSK-3beta (unknown origin) expressed in Sf21 cells assessed ... | 37536264 |
| Glycogen synthase kinase-3 beta | IC50 | = | 76.0 | nM | 7.12 | Inhibition of human GSK3-beta | 18006321 |
| Glycogen synthase kinase-3 beta | IC50 | = | 76.0 | nM | 7.12 | Inhibition of recombinant GSK3-beta | 18324764 |
| Glycogen synthase kinase-3 beta | IC50 | = | 160.0 | nM | 6.8 | Inhibition of GSK3-beta | 15559249 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of CDK2/cyclinA at 10 mM | 15559249 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 76000.0 | nM | 4.12 | 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 | 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 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| - | 10.6019/CHEMBL1961873 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Rhodopsin kinase GRK7 | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-5 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK beta | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK alpha | 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 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D2 | 2 |
Data from ChEMBL 36 via Core Engine