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Compound Detail

CHEMBL5075992

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NC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12

Basic Information

ChEMBL ID CHEMBL5075992
Phase Preclinical
Structure Type MOL
InChI Key PHPDNJNNNAMOOM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.3
MW (Da)
3.83
ALogP
5
HBA
3
HBD
130.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13Cl2N5O3S
MW 462.32
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.03

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Sgk1
CHEMBL2343
IC50 9.0 7.815 1.0 2

Activity Data Samples

Top measurements by pChEMBL value

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