Compound Detail
CHEMBL4761925
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Basic Information
| ChEMBL ID | CHEMBL4761925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AATOBUMFINWQIF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
4.17
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 4.78 | 4.78 | 16790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 16790.0 | nM | 4.78 | Inhibition of S6K1 in PTEN-null human PC-3 cells assessed as inhibition of cell ... | 32750679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32750679 | 10.1016/j.bmcl.2020.127427 | PNT1A | 1 |
| 32750679 | 10.1016/j.bmcl.2020.127427 | Unchecked | 1 |
| 32750679 | 10.1016/j.bmcl.2020.127427 | DU-145 | 1 |
| 32750679 | 10.1016/j.bmcl.2020.127427 | Ribosomal protein S6 kinase beta-1 | 1 |
Data from ChEMBL 36 via Core Engine