Compound Detail
CHEMBL1938803
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Basic Information
| ChEMBL ID | CHEMBL1938803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWQIEMARYWIEFU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.90
ALogP
4
HBA
3
HBD
91.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of RSK2 phosphorylation by luminescence assay | 22100312 |
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 4.4 | nM | 8.36 | Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22100312 | 10.1016/j.bmcl.2011.10.030 | Ribosomal protein S6 kinase alpha-3 | 2 |
Data from ChEMBL 36 via Core Engine