Compound Detail
CHEMBL1933283
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Basic Information
| ChEMBL ID | CHEMBL1933283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAKNBLVUBRXYQD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.33
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 7.92 | 7.4333 | 12.0 | 3 |
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human RSK2 in MCF7 cells | 36898330 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human RSK2 | 22056746 |
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 21.0 | nM | 7.68 | Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... | - |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human RSK2-mediated CREB phosphorylation in HLR-CREB cells by cell... | 22056746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | No relevant target | 1 |
| 36898330 | 10.1016/j.ejmech.2023.115229 | Ribosomal protein S6 kinase alpha-3 | 1 |
Data from ChEMBL 36 via Core Engine