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Compound Detail

CHEMBL3138555

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O=C1CCCC2=C1[C@H](c1ccc(F)c(-c3ccco3)c1)C1=C(CCS1(=O)=O)N2

Basic Information

ChEMBL ID CHEMBL3138555
Phase Preclinical
Structure Type MOL
InChI Key WAJWLVYLJZIXNT-IBGZPJMESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
76.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FNO4S
MW 399.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.07

Activity Summary

EC50 2 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 6.67 6.22 213.8 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine