<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 18:23:53 UTC</creation_date>
  <update_date>2026-08-21 18:03:25 UTC</update_date>
  <accession/>
  <common_name>Bictegravir</common_name>
  <class>SmallMolecule</class>
  <description>Bictegravir is an organic compound with the formula C21H18F3N3O5 and an average molecular weight of 449.39 g/mol. Bictegravir belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds. It is further classified as an organoheterocyclic compound.

The compound is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products (antivirals). The recorded exposure route for this substance is oral. Bictegravir acts on two recorded protein targets, serving as an antagonist of the Gag-Pol polyprotein and Reverse transcriptase/RNaseH (pol).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H18F3N3O5</chemical_formula>
  <average_molecular_weight>449.386</average_molecular_weight>
  <monisotopic_moleculate_weight>449.119855181</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1611493-60-7</cas_registry_number>
  <smiles>OC1=C2N(C[C@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCC2=C(F)C=C(F)C=C2F)C1=O</smiles>
  <inchi>InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1</inchi>
  <inchikey>SOLUWJRYJLAZCX-LYOVBCGYSA-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>Bictegravir Action Pathway</name>
      <smpdb_id>SMP0125910</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Bictegravir Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144784</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.36</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>449.386</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>449.119855181</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC1=C2N(C[C@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCC2=C(F)C=C(F)C=C2F)C1=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H18F3N3O5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SOLUWJRYJLAZCX-LYOVBCGYSA-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:0x00007f72244c4a80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11799</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>90311989</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_id>BE0004136</target_id>
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      <target_id>BE0004855</target_id>
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</compound>
