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Compound Detail

CHEMBL351764

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CN(C)c1ccccc1C[S+]([O-])c1nccn1C

Basic Information

ChEMBL ID CHEMBL351764
Phase Preclinical
Structure Type MOL
InChI Key ZPUQZEGPVMKQPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.4
MW (Da)
1.79
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N3OS
MW 263.37
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium-transporting ATPase
CHEMBL2095228
IC50 4.5 4.5 32000.0 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