Compound Detail
CHEMBL188433
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Basic Information
| ChEMBL ID | CHEMBL188433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYSFZHAAVUOTPM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.05
ALogP
7
HBA
1
HBD
95.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | IC50 | 8.22 | 8.09 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 6.0 | nM | 8.22 | Inhibitory concentration against MSK-1 | 15955699 |
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 11.0 | nM | 7.96 | Inhibitory concentration exhibited towards MSK-1 | 15950465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15955699 | 10.1016/j.bmcl.2005.05.020 | Unchecked | 2 |
| 15950465 | 10.1016/j.bmcl.2005.05.021 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 15955699 | 10.1016/j.bmcl.2005.05.020 | Ribosomal protein S6 kinase alpha-5 | 1 |
Data from ChEMBL 36 via Core Engine