Compound Detail
CHEMBL3604781
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Basic Information
| ChEMBL ID | CHEMBL3604781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRIBPTNPPPEBMO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
3.86
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 780.0 | nM | 6.11 | Inhibition of human recombinant Histidine-tagged RSK2 using biotin-AGAGRSRHSSYPA... | 26270416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26270416 | 10.1021/acs.jmedchem.5b00450 | Ribosomal protein S6 kinase alpha-3 | 2 |
Data from ChEMBL 36 via Core Engine