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Compound Detail

CHEMBL110987

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CN1CC2=C(C1=O)C(c1ccc(F)c(Br)c1)C1=C(CN(C)C1=O)N2

Basic Information

ChEMBL ID CHEMBL110987
Phase Preclinical
Structure Type MOL
InChI Key QCJOJFHROHIIMG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.2
MW (Da)
1.73
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.79
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 C17H15BrFN3O2
MW 392.23
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.71

Activity Summary

EC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 6.0 5.845 1000.0 2

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