Compound Detail
CHEMBL1775069
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Basic Information
| ChEMBL ID | CHEMBL1775069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYANUMFPPNVWHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.12
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 1060.0 | nM | 5.97 | Inhibition of RSK2 after 60 mins | 21488662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21488662 | 10.1021/jm200139j | HCT-116 | 2 |
| 21488662 | 10.1021/jm200139j | MCF7 | 2 |
| 21488662 | 10.1021/jm200139j | MDA-MB-231 | 2 |
| 21488662 | 10.1021/jm200139j | Ribosomal protein S6 kinase alpha-3 | 1 |
Data from ChEMBL 36 via Core Engine