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Compound Detail

CHEMBL326016

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CN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2

Basic Information

ChEMBL ID CHEMBL326016
Phase Preclinical
Structure Type MOL
InChI Key DXOCPYRBUKEWDH-HNNXBMFYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.2
MW (Da)
3.85
ALogP
3
HBA
1
HBD
52.9
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 C18H16BrFN2O2
MW 391.24
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.67

Activity Summary

EC50 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 6.5 6.395 316.2 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