Compound Detail
CHEMBL1933145
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Basic Information
| ChEMBL ID | CHEMBL1933145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBOKTWNEIMBJNQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.14
ALogP
5
HBA
2
HBD
89.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 7.58 | 6.96 | 26.0 | 2 |
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of human RSK2 | 22056746 |
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 26.0 | nM | 7.58 | Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... | - |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 460.0 | nM | 6.34 | 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 |
Data from ChEMBL 36 via Core Engine