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Compound Detail

CHEMBL320337

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O=C1C2=C(CN1C1CCCC1)N=C1CCCC(O)=C1[C@@H]2c1ccc(F)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320337
Phase Preclinical
Structure Type MOL
InChI Key LVLFILHVAUBCLH-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.3
MW (Da)
5.16
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.68
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22BrFN2O2
MW 445.33
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.72

Activity Summary

EC50 1 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 EC50 6.27 6.27 537.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels EC50 = 537.03 nM 6.27 Evaluated for K-ATP activity in terms of membrane potential change, through guin... 15163197

Literature References

PubMed DOI Target Context # Activities
15163197 10.1021/jm030357o Sulfonylurea receptors; K-ATP channels 2

Data from ChEMBL 36 via Core Engine