Compound Detail
CHEMBL1221656
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CC1=CC(C)=C2C=C3C=CC(CCC(=O)NCCCCCC(=O)NCCCCNC(=O)OCCCn4c(C(=O)CF)c(-c5ccc(C)cc5)c5c(N)ncnc54)=[N+]3[B-](F)(F)C12
Basic Information
| ChEMBL ID | CHEMBL1221656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUYBUSXUFJRCHK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
842.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of His6-tagged RSK2 C-terminal domian expressed in Escherichia coli a... | 17259979 |
| Ribosomal protein S6 kinase alpha-3 | EC50 | = | 10000.0 | nM | 5.0 | Inhibition of PMA-stimulated RSK2 phosphorylation in HEK293 cells after 1 hr by ... | 17259979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17259979 | 10.1038/nchembio859 | Ribosomal protein S6 kinase alpha-3 | 2 |
Data from ChEMBL 36 via Core Engine