Compound Detail
CHEMBL3909544
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O=S(=O)(Nc1ccc(-c2cnc3c(NS(=O)(=O)c4cc(Cl)c(F)cc4F)n[nH]c3n2)cc1)c1cc(Cl)c(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL3909544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFFUAEKPDJYQRA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
647.4
MW (Da)
5.48
ALogP
7
HBA
3
HBD
146.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 6.38 | 6.38 | 413.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 413.0 | nM | 6.38 | Enzymatic Activity Assay: The compounds were tested for serum and glucocorticoid... | - |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 413.0 | nM | 6.38 | Enzymatic Activity Assay: The enzyme reaction was carried out in a buffer contai... | - |
Data from ChEMBL 36 via Core Engine