VONOPRAZAN FUMARATE


Synonyms	TAK-438 TAK-438 monofumarate Tak 438 Vonoprazan fumarate Vonoprazan fumurate Vonoprazan monofumarate
Status
Molecule Category	Mixture
UNII	4QW3X4AMLB


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


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+

Mechanism of Action	Action	Reference
Potassium-transporting ATPase inhibitor	INHIBITOR	PMDA


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

Assay Description	Organism	Bioactivity
Inhibition of swine H+/K+-ATPase after 30 mins by colorimetry	Sus scrofa	19.0 nM
Inhibition of histamine-induced gastric acid secretion in pylorus-ligated Sprague Dawley rat at 1 mg/kg, iv administered 3 mins prior to histamine challenge measured after 3 hrs	Rattus norvegicus	98.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	-14.62 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	3.64 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.1 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.1 %

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