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Compound Detail

CHEMBL4537674

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N#CC1(c2ccc(O)c(NS(=O)(=O)c3cc(Br)ccc3O)c2)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4537674
Phase Preclinical
Structure Type MOL
InChI Key NJDVFBPUGNOISW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.3
MW (Da)
4.39
ALogP
5
HBA
3
HBD
110.4
PSA (Ų)
0.60
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 C19H19BrN2O4S
MW 451.34
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.82

Activity Summary

Kd 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
 Kd 6.64 6.64 229.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
WD repeat-containing protein 5 Kd = 229.0 nM 6.64 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 1

Data from ChEMBL 36 via Core Engine