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Compound Detail

CHEMBL3138562

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O=C1CNCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2

Basic Information

ChEMBL ID CHEMBL3138562
Phase Preclinical
Structure Type MOL
InChI Key ONOILFOKUNXXDQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.3
MW (Da)
1.73
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14BrFN2O3S
MW 413.27
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.84

Activity Summary

EC50 2 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 5.86 5.08 1380.4 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15163197 10.1021/jm030357o Sulfonylurea receptors; K-ATP channels 2

Data from ChEMBL 36 via Core Engine