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Compound Detail

CHEMBL3356047

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Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)cnc12

Basic Information

ChEMBL ID CHEMBL3356047
Phase Preclinical
Structure Type MOL
InChI Key FXJISCGIBOZVFV-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
2.68
ALogP
6
HBA
3
HBD
126.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12F2N6O2S
MW 402.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.89

Activity Summary

IC50 3 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Sgk1
CHEMBL2343
IC50 7.82 7.26 15.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25589934 10.1021/ml5003376 Serine/threonine-protein kinase Sgk1 2

Data from ChEMBL 36 via Core Engine