Compound Detail
CHEMBL5079143
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Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCN(CC(F)(F)F)CC3)c12
Basic Information
| ChEMBL ID | CHEMBL5079143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOFYBSUHXWHOAN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
599.0
MW (Da)
5.33
ALogP
7
HBA
2
HBD
113.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 7.26 | 6.8033 | 55.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of recombinant human SGK1 expressed in baculovirus expression system ... | 34931844 |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 265.0 | nM | 6.58 | Inhibition of recombinant human SGK1 expressed in baculovirus expression system ... | 34931844 |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 270.0 | nM | 6.57 | Enzymatic Activity Assay: The compounds were tested for serum and glucocorticoid... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34931844 | 10.1021/acs.jmedchem.1c01601 | Serine/threonine-protein kinase Sgk1 | 2 |
Data from ChEMBL 36 via Core Engine