Compound Detail
CHEMBL4795354
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Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(OC[C@H]4CN(CCCCCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)CCO4)c4cn[nH]c4n3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4795354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTFQFPZKDYMMMJ-RIAKQDHQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1157.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Serine/threonine-protein kinase Sgk3 CHEMBL6186 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 220.0 | nM | 6.66 | % Activity remaining of SGK1 in the Dundee kinase panel at 1.0 µM | - |
| Serine/threonine-protein kinase Sgk3 | IC50 | = | 300.0 | nM | 6.52 | SGK3 radioactive filter binding assay using 33P ATP (Dundee kinase screen) | - |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 1800.0 | nM | 5.75 | % Activity remaining of S6K1 in the Dundee kinase panel at 1.0 µM | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5463727 | Ribosomal protein S6 kinase beta-1 | 3 |
| - | 10.6019/CHEMBL5463727 | Serine/threonine-protein kinase Sgk1 | 3 |
| 34656901 | 10.1016/j.ejmech.2021.113906 | von Hippel-Lindau disease tumor suppressor/SGK3 | 2 |
| - | 10.6019/CHEMBL5463727 | Serine/threonine-protein kinase Sgk3 | 2 |
| - | 10.6019/CHEMBL5463727 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 32890974 | 10.1016/j.ejmech.2020.112494 | Unchecked | 1 |
| - | 10.6019/CHEMBL5463727 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5463727 | Casein kinase I isoform gamma-2 | 1 |
| - | 10.6019/CHEMBL5463727 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5463727 | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | 1 |
| - | 10.6019/CHEMBL5463727 | Serine/threonine-protein kinase Chk1 | 1 |
| - | 10.6019/CHEMBL5463727 | CDK9/cyclin T1 | 1 |
| - | 10.6019/CHEMBL5463727 | Cyclin-dependent kinase 2/cyclin A | 1 |
| - | 10.6019/CHEMBL5463727 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| - | 10.6019/CHEMBL5463727 | Calcium/calmodulin-dependent protein kinase type 1 | 1 |
| - | 10.6019/CHEMBL5463727 | Tyrosine-protein kinase BTK | 1 |
| - | 10.6019/CHEMBL5463727 | Serine/threonine-protein kinase BRSK2 | 1 |
| - | 10.6019/CHEMBL5463727 | Serine/threonine-protein kinase BRSK1 | 1 |
| - | 10.6019/CHEMBL5463727 | Protein-tyrosine kinase 6 | 1 |
| - | 10.6019/CHEMBL5463727 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine