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Compound Detail

CHEMBL322507

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CN1CC2=C(C1=O)C(c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL322507
Phase Preclinical
Structure Type MOL
InChI Key WYSWJXLZAYOLSM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
2.42
ALogP
4
HBA
1
HBD
66.5
PSA (Ų)
0.75
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 C17H16BrFN2O3S
MW 427.30
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.77

Activity Summary

EC50 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 EC50 5.91 5.91 1230.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels EC50 = 1230.27 nM 5.91 Evaluated for K-ATP activity in terms of membrane potential change, through guin... 15163197

Literature References

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

Data from ChEMBL 36 via Core Engine