Compound Detail
CHEMBL182419
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Basic Information
| ChEMBL ID | CHEMBL182419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSPPFDDJLOSQKQ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
3.41
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.3
EC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.3 | 8.3 | 5.0 | 4 |
| L6 CHEMBL614793 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human Glycogen synthase kinase-3 beta | 15225695 |
| Glycogen synthase kinase-3 beta | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human GSK3-beta | 18929433 |
| Glycogen synthase kinase-3 beta | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human GSK3beta by scintillation proximity assay | 29306837 |
| Glycogen synthase kinase-3 beta | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Glycogen synthase kinase-3 beta (unknown origin) | 30616053 |
| L6 | EC50 | = | 390.0 | nM | 6.41 | Potency of compound in glycogen accumulation in L6 cells | 15225695 |
| Cyclin-dependent kinase 2 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of cyclin-dependent kinase 2 | 15225695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Glycogen synthase kinase-3 beta | 2 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Protein kinase C alpha type | 1 |
| 30616053 | 10.1016/j.ejmech.2018.12.073 | Glycogen synthase kinase-3 beta | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Serine/threonine-protein kinase Sgk1 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Mitogen-activated protein kinase 13 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Mitogen-activated protein kinase 12 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Mitogen-activated protein kinase 11 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Mitogen-activated protein kinase 14 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Rho-associated protein kinase 2 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | MAP kinase-activated protein kinase 5 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Cyclin-dependent kinase 2 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | RAC-alpha serine/threonine-protein kinase | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | cAMP-dependent protein kinase (PKA) | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Phosphorylase kinase | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Ribosomal protein S6 kinase (P70S6K) | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | MAP kinase-activated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine