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Compound Detail

CHEMBL324618

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O=C1NCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2

Basic Information

ChEMBL ID CHEMBL324618
Phase Preclinical
Structure Type MOL
InChI Key XSBZYYOWVFELQB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.2
MW (Da)
3.90
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.76
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 C18H16BrFN2O2
MW 391.24
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.68

Activity Summary

EC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 6.16 6.16 691.8 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