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Compound Detail

CHEMBL325805

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O=S1(=O)CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2

Basic Information

ChEMBL ID CHEMBL325805
Phase Preclinical
Structure Type MOL
InChI Key IXZHUMHTUSORHZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
3.12
ALogP
5
HBA
1
HBD
80.3
PSA (Ų)
0.69
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 C17H17BrFNO4S2
MW 462.36
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.78

Activity Summary

EC50 2 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 5.5 5.215 3162.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15163196 10.1021/jm030356w Sulfonylurea receptors; K-ATP channels 2

Data from ChEMBL 36 via Core Engine