<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:20:20 UTC</creation_date>
  <update_date>2026-08-19 19:05:43 UTC</update_date>
  <accession/>
  <common_name>Vonoprazan</common_name>
  <class>SmallMolecule</class>
  <description>Vonoprazan is an organic compound with the formula C17H16FN3O2S and an average molecular weight of 345.39 g/mol. Vonoprazan belongs to the substituted pyrroles, a subclass of pyrroles within the organic compounds. It is classified under the superclass of organoheterocyclic compounds.

The compound is found in or released from healthcare, pharmaceuticals, and veterinary products specifically used as drugs for acid related disorders, with oral administration as the recorded exposure route. In terms of biological activity, vonoprazan interacts with two recorded protein targets: the Potassium-transporting ATPase alpha chain 1 (ATP4A) and the Potassium-transporting ATPase subunit beta (ATP4B), acting as a modulator for these proteins.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C17H16FN3O2S</chemical_formula>
  <average_molecular_weight>345.39</average_molecular_weight>
  <monisotopic_moleculate_weight>345.094726</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>881681-00-1</cas_registry_number>
  <smiles>CNCC1=CN(C(=C1)C1=CC=CC=C1F)S(=O)(=O)C1=CN=CC=C1</smiles>
  <inchi>InChI=1S/C17H16FN3O2S/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/h2-9,11-12,19H,10H2,1H3</inchi>
  <inchikey>BFDBKMOZYNOTPK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Vonoprazan Drug Metabolism</name>
      <smpdb_id>SMP0130896</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.03</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>345.39</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>345.094726</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CNCC1=CN(C(=C1)C1=CC=CC=C1F)S(=O)(=O)C1=CN=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C17H16FN3O2S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C17H16FN3O2S/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/h2-9,11-12,19H,10H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BFDBKMOZYNOTPK-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226ad2a88&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11739</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>15981397</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
