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Compound Detail

CHEMBL348090

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CN(C)c1ccccc1C[S+]([O-])c1nccn1-c1ccc([N+](=O)[O-])cn1

Basic Information

ChEMBL ID CHEMBL348090
Phase Preclinical
Structure Type MOL
InChI Key MZPJNZSZBPJMFU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
2.55
ALogP
7
HBA
0
HBD
100.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O3S
MW 371.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium-transporting ATPase
CHEMBL2095228
IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8558532 10.1021/jm950610n Potassium-transporting ATPase 2

Data from ChEMBL 36 via Core Engine