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Compound Detail

CHEMBL109412

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O=C1COCC2=C1C(c1ccc(F)c(Br)c1)C1=C(O)CSCC1=N2

Basic Information

ChEMBL ID CHEMBL109412
Phase Preclinical
Structure Type MOL
InChI Key SBEMSACUKYANAZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.3
MW (Da)
3.54
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.77
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 C17H13BrFNO3S
MW 410.26
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.79

Activity Summary

EC50 1 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 7.2 7.2 63.1 1

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