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Compound Detail

CHEMBL4518711

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O=C(O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O

Basic Information

ChEMBL ID CHEMBL4518711
Phase Preclinical
Structure Type MOL
InChI Key GTSWUTVZEJOAKU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.1
MW (Da)
3.67
ALogP
5
HBA
4
HBD
123.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8BrCl2NO6S
MW 457.08
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.16

Activity Summary

Kd 1 meas. best 6.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
Kd 6.79 6.79 163.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31724864 10.1021/acs.jmedchem.9b01411 WD repeat-containing protein 5 2

Data from ChEMBL 36 via Core Engine