Compound Detail
CHEMBL3604777
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Basic Information
| ChEMBL ID | CHEMBL3604777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTDTXABIZXUXME-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
4.11
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.19
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL3297641 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human recombinant Histidine-tagged RSK2 using biotin-AGAGRSRHSSYPA... | 26270416 |
| Ribosomal protein S6 kinase alpha-3 | EC50 | = | 6400.0 | nM | 5.19 | Inhibition of RSK2 in mouse BAF cells expressing activated FGFR assessed as redu... | 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