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Compound Detail

CHEMBL108586

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CC1=C(C#N)C(c2ccc(F)c(Br)c2)C2=C(CCS2(=O)=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108586
Phase Preclinical
Structure Type MOL
InChI Key MXZUOJQWGVKCJY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.2
MW (Da)
3.10
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.81
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 C15H12BrFN2O2S
MW 383.24
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 7.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 EC50 7.56 7.56 27.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels EC50 = 27.54 nM 7.56 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