Compound Detail
CHEMBL3781117
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Basic Information
| ChEMBL ID | CHEMBL3781117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFZMGVOOUHJBBS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.51
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 860.0 | nM | 6.07 | Inhibition of N-terminal His6 tagged full-length human recombinant active RSK2 u... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00469A | Ribosomal protein S6 kinase alpha-2 | 2 |
Data from ChEMBL 36 via Core Engine