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Compound Detail

CHEMBL3356034

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Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4Cl)cc3)ccc12

Basic Information

ChEMBL ID CHEMBL3356034
Phase Preclinical
Structure Type MOL
InChI Key ZVLPMRJOSCOYFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.8
MW (Da)
5.03
ALogP
4
HBA
3
HBD
100.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14BrClN4O2S
MW 477.77
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Sgk1
CHEMBL2343
IC50 8.4 8.4 4.0 1

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