Compound Detail
CHEMBL4779350
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Basic Information
| ChEMBL ID | CHEMBL4779350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUUUJLMEMRAYII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
2.99
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 6.75 | 6.75 | 179.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 179.0 | nM | 6.75 | Inhibition of human S6K1 using KKRNRTLTK peptide substrate by radiometric assay | 33479660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479660 | 10.1039/c9md00537d | Ribosomal protein S6 kinase beta-1 | 1 |
Data from ChEMBL 36 via Core Engine