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Compound Detail

CHEMBL413532

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C[C@H]1OCC(=O)C2=C1N=C1COC(O)=C1[C@@H]2c1ccc(F)c(Br)c1

Basic Information

ChEMBL ID CHEMBL413532
Phase Preclinical
Structure Type MOL
InChI Key OCJYJJSGANKJAI-UHLUBPPHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.2
MW (Da)
3.17
ALogP
5
HBA
1
HBD
68.1
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 C17H13BrFNO4
MW 394.20
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.06

Activity Summary

EC50 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptor 2, Kir6.2
CHEMBL2095198
EC50 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17154517 10.1021/jm060549u Sulfonylurea receptor 2, Kir6.2 2

Data from ChEMBL 36 via Core Engine