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Compound Detail

CHEMBL155575

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Cc1ccnc(-n2ccnc2[S+]([O-])Cc2ccccc2N(C)C)c1

Basic Information

ChEMBL ID CHEMBL155575
Phase Preclinical
Structure Type MOL
InChI Key IOGRHGJCBOACKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.95
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4OS
MW 340.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium-transporting ATPase
CHEMBL2095228
IC50 5.6 5.6 2500.0 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