Compound Detail
CHEMBL191104
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Basic Information
| ChEMBL ID | CHEMBL191104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZUWBOMXTDPIEI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.10
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | IC50 | 6.97 | 6.97 | 107.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 107.0 | nM | 6.97 | Inhibitory concentration exhibited towards MSK-1 | 15950465 |
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 107.0 | nM | 6.97 | Inhibition of MSK-1 (unknown origin) | 33569941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15950465 | 10.1016/j.bmcl.2005.05.021 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Ribosomal protein S6 kinase alpha-5 | 1 |
Data from ChEMBL 36 via Core Engine