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Compound Detail

CHEMBL264214

DISUPRAZOLE
🧪 Phase II
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🧪 Phase II
CCSc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C

Basic Information

ChEMBL ID CHEMBL264214
Name DISUPRAZOLE
Phase Phase II
Structure Type MOL
InChI Key YWQUFKJVMWHDSN-UHFFFAOYSA-N

Known Names

Disuprazol Disuprazole
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names

Molecular Properties

331.5
MW (Da)
3.69
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -prazole

Extended Properties

Molecular Formula C16H17N3OS2
MW 331.47
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium-transporting ATPase
CHEMBL2095228
IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1848293 10.1021/jm00107a026 Potassium-transporting ATPase 2
1848293 10.1021/jm00107a026 Oryctolagus cuniculus 1
1848293 10.1021/jm00107a026 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine