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Compound Detail

CHEMBL4583201

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O=S(=O)(Nc1cc(C2(C(F)(F)F)CC2)ccc1O)c1cc(Br)ccc1O

Basic Information

ChEMBL ID CHEMBL4583201
Phase Preclinical
Structure Type MOL
InChI Key UFMQRARCXUCJDI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.2
MW (Da)
4.26
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.61
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 C16H13BrF3NO4S
MW 452.25
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.70

Activity Summary

Kd 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
Kd 6.26 6.26 547.0 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 1

Data from ChEMBL 36 via Core Engine