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Compound Detail

CHEMBL3138594

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CCOC(=O)C1=C(C)NC2=C(C1c1ccc(F)c(Br)c1)S(=O)(=O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138594
Phase Preclinical
Structure Type MOL
InChI Key FQUNCHVVRAKHSO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.3
MW (Da)
3.14
ALogP
5
HBA
1
HBD
72.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17BrFNO4S
MW 430.30
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.16

Activity Summary

EC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 EC50 6.3 6.3 501.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels EC50 = 501.19 nM 6.3 Evaluated for K-ATP activity in terms of change in membrane potential through gu... 15163196

Literature References

PubMed DOI Target Context # Activities
15163196 10.1021/jm030356w Sulfonylurea receptors; K-ATP channels 2

Data from ChEMBL 36 via Core Engine