<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:49:52 UTC</creation_date>
  <update_date>2026-08-19 18:16:43 UTC</update_date>
  <accession/>
  <common_name>Doravirine</common_name>
  <class>SmallMolecule</class>
  <description>Doravirine is an organic compound with the formula C17H11ClF3N5O3 and an average molecular weight of 425.75 g/mol. Doravirine belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. 

This compound is recorded as being released from healthcare, pharmaceuticals, and veterinary products specifically as an antiviral, with oral exposure being the recorded route. In terms of biological activity, doravirine acts as an inhibitor of two protein targets: the Gag-Pol polyprotein (gag-pol) and Reverse transcriptase/RNaseH (pol).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C17H11ClF3N5O3</chemical_formula>
  <average_molecular_weight>425.75</average_molecular_weight>
  <monisotopic_moleculate_weight>425.0502516</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1338225-97-0</cas_registry_number>
  <smiles>CN1C(=O)NN=C1CN1C=CC(=C(OC2=CC(Cl)=CC(=C2)C#N)C1=O)C(F)(F)F</smiles>
  <inchi>InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)</inchi>
  <inchikey>ZIAOVIPSKUPPQW-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>Doravirine Action Pathway</name>
      <smpdb_id>SMP0125908</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Doravirine Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144845</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.23</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>425.75</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>425.0502516</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CN1C(=O)NN=C1CN1C=CC(=C(OC2=CC(Cl)=CC(=C2)C#N)C1=O)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C17H11ClF3N5O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZIAOVIPSKUPPQW-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:0x00007f7220670f18&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB12301</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>58460047</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>
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</compound>
