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Compound Detail

CHEMBL325571

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O=C1CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(O)CNCC1=N2

Basic Information

ChEMBL ID CHEMBL325571
Phase Preclinical
Structure Type MOL
InChI Key BMKCAHRKDMFACO-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.2
MW (Da)
3.55
ALogP
4
HBA
2
HBD
61.7
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 C18H16BrFN2O2
MW 391.24
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.89

Activity Summary

EC50 4 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 6.24 5.5275 575.4 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15163197 10.1021/jm030357o Sulfonylurea receptors; K-ATP channels 4

Data from ChEMBL 36 via Core Engine