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Compound Detail

CHEMBL1572553

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O=C(CCSc1ccc(Br)cc1)c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL1572553
Phase Preclinical
Structure Type MOL
InChI Key XKRQCXFHCLCIBC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.2
MW (Da)
4.52
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13BrO2S
MW 337.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.82

Activity Summary

EC50 1 meas. best 5.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 5.93 5.93 1170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine