VONOPRAZAN FUMARATE

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Synonyms
Status
Molecule Category Mixture
UNII 4QW3X4AMLB

Structure

InChI Key ROGSHYHKHPCCJW-WLHGVMLRSA-N
Smiles CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C17H16FN3O2S.C4H4O4/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20FN3O6S
Molecular Weight 461.47
AlogP 2.65
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 63.99
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Potassium-transporting ATPase inhibitor INHIBITOR PMDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 98
Sus scrofa
- 19 - - -

Target Conservation

Protein: Potassium-transporting ATPase
Description: Potassium-transporting ATPase alpha chain 1
Organism : Homo sapiens
P20648 ENSG00000105675
Protein: Potassium-transporting ATPase
Description: Potassium-transporting ATPase subunit beta
Organism : Homo sapiens
P51164 ENSG00000186009

Cross References

Resources Reference
ChEMBL CHEMBL2064032
FDA SRS 4QW3X4AMLB
PubChem 45375887
SureChEMBL SCHEMBL194394
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