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Compound Detail

CHEMBL4441676

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N#CC1(c2cc(NS(=O)(=O)c3cc(Br)ccc3O)c(O)c(C(=O)O)c2)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4441676
Phase Preclinical
Structure Type MOL
InChI Key BLJKTQGNFJGAOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.3
MW (Da)
3.30
ALogP
6
HBA
4
HBD
147.7
PSA (Ų)
0.49
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 C18H15BrN2O6S
MW 467.30
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.53

Activity Summary

Kd 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
 Kd 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
WD repeat-containing protein 5 Kd = 67.0 nM 7.17 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 4

Data from ChEMBL 36 via Core Engine