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Compound Detail

CHEMBL4532703

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COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)cc(S(C)(=O)=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4532703
Phase Preclinical
Structure Type MOL
InChI Key XSNDBCXTZMGFDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.8
MW (Da)
3.02
ALogP
6
HBA
2
HBD
109.8
PSA (Ų)
0.65
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 C14H13BrClNO6S2
MW 470.75
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.41

Activity Summary

Kd 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
 Kd 6.52 6.52 304.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
WD repeat-containing protein 5 Kd = 304.0 nM 6.52 Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged... 31724864

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