<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:51:28 UTC</creation_date>
  <update_date>2026-08-22 11:46:43 UTC</update_date>
  <accession/>
  <common_name>Asunaprevir</common_name>
  <class>SmallMolecule</class>
  <description>Asunaprevir is an organic compound with the chemical formula C35H46ClN5O9S. Asunaprevir belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 748.29 g/mol, Asunaprevir is a heavy molecule.

The compound is identified as an inhibitor of two protein targets: the Gag-Pol polyprotein (gag-pol) and the Genome polyprotein. In terms of its application, Asunaprevir is utilized as an antiviral within the healthcare, pharmaceuticals, and veterinary products sector. Oral exposure is the recorded route for this substance.

Asunaprevir has been found in or released from 14 recorded sources. These sources span several categories, including building and construction materials such as ceilings, floors, fencing, and stairs and ramps. It is also associated with food, food processing, and cookware, specifically in the preparation of vinegar and the preparation of malt. Additionally, it is linked to household cleaning and consumer products, specifically other smoking requisites. Within electrical and electronic equipment, it is found in antennas, coils, relays, emergency protective devices, and communication cables or conductors.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C35H46ClN5O9S</chemical_formula>
  <average_molecular_weight>748.286</average_molecular_weight>
  <monisotopic_moleculate_weight>747.2704767</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>630420-16-5</cas_registry_number>
  <smiles>COC1=CN=C(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)C2=C1C=CC(Cl)=C2</smiles>
  <inchi>InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1</inchi>
  <inchikey>XRWSZZJLZRKHHD-WVWIJVSJSA-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>Asunaprevir Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144721</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.37</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>748.286</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>747.2704767</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=CN=C(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)C2=C1C=CC(Cl)=C2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C35H46ClN5O9S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XRWSZZJLZRKHHD-WVWIJVSJSA-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:0x00007f72263f4388&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11586</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>16076883</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
      <target_id/>
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    <target>
      <target_id>BE0001478</target_id>
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    <target>
      <target_id>BE0002050</target_id>
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  </targets>
</compound>
