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Compound Detail

CHEMBL1420111

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Cc1cc(Br)ccc1SCC(=O)OCC(=O)NCc1ccco1

Basic Information

ChEMBL ID CHEMBL1420111
Phase Preclinical
Structure Type MOL
InChI Key UZNKTOLMERTQMK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.3
MW (Da)
3.30
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16BrNO4S
MW 398.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.02

Activity Summary

IC50 2 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eukaryotic translation initiation factor 4H
CHEMBL1293274
IC50 5.53 5.53 2935.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.03 5.03 9370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine