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Compound Detail

CHEMBL3138565

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

Basic Information

ChEMBL ID CHEMBL3138565
Phase Preclinical
Structure Type MOL
InChI Key HFERXKXEAPDGPC-HNNXBMFYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.3
MW (Da)
3.72
ALogP
4
HBA
1
HBD
63.2
PSA (Ų)
0.80
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 C17H15Cl2NO3S
MW 384.28
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.99

Activity Summary

EC50 2 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 6.57 6.525 269.1 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