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Compound Detail

CHEMBL3138551

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O=C1CNCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138551
Phase Preclinical
Structure Type MOL
InChI Key FEAGUALNKLIJCJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
2.12
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.72
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 C17H16BrFN2O3S
MW 427.30
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.80

Activity Summary

EC50 2 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 EC50 5.59 5.59 2570.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels EC50 = 2570.4 nM 5.59 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