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Compound Detail

CHEMBL4557517

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CN(C(=O)CNC(=O)/C=C/c1cccc(Cl)c1)C1CCS(=O)(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4557517
Phase Preclinical
Structure Type MOL
InChI Key NPOLAOMBQHORBK-AATRIKPKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.9
MW (Da)
1.11
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.79
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 C16H19ClN2O4S
MW 370.86
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Krueppel-like factor 5
CHEMBL1293249
 IC50 5.28 5.28 5300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Krueppel-like factor 5 IC50 = 5300.0 nM 5.28 Inhibition of KLF5 promoter activity in human DLD1 cells by luciferase reporter ... -

Data from ChEMBL 36 via Core Engine