Compound Detail
CHEMBL4303592
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Basic Information
| ChEMBL ID | CHEMBL4303592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XASCINRGTHLHGM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.39
ALogP
3
HBA
2
HBD
62.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of RSK3 (unknown origin) | 36898330 |
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of RSK1 (unknown origin) | 36898330 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of RSK2 (unknown origin) | 36898330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36898330 | 10.1016/j.ejmech.2023.115229 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 36898330 | 10.1016/j.ejmech.2023.115229 | Ribosomal protein S6 kinase alpha-3 | 1 |
| 36898330 | 10.1016/j.ejmech.2023.115229 | Ribosomal protein S6 kinase alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine