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Compound Detail

CHEMBL323460

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O=C1NCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2

Basic Information

ChEMBL ID CHEMBL323460
Phase Preclinical
Structure Type MOL
InChI Key CDAQAGCGPAHBGR-AWEZNQCLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
3.51
ALogP
3
HBA
2
HBD
61.7
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 C17H14BrFN2O2
MW 377.21
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.66

Activity Summary

EC50 2 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 5.96 5.56 1096.5 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