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Compound Detail

CHEMBL1359526

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O=S(=O)([O-])CCC[n+]1ccc(Oc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL1359526
Phase Preclinical
Structure Type MOL
InChI Key UVEURIRRRLDTGG-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
1.70
ALogP
4
HBA
0
HBD
70.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO4S
MW 293.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.42

Activity Summary

IC50 3 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.37 5.37 4320.0 1
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1
CHEMBL1795098
IC50 4.89 4.89 12914.0 1
Eukaryotic translation initiation factor 4H
CHEMBL1293274
IC50 4.32 4.32 48285.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine