<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 04:19:35 UTC</creation_date>
  <update_date>2026-08-20 05:12:36 UTC</update_date>
  <accession/>
  <common_name>Dolutegravir</common_name>
  <class>SmallMolecule</class>
  <description>Dolutegravir is an organic compound with the formula C20H19F2N3O5 and an average molecular weight of 419.38 g/mol. Dolutegravir belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds.

This compound is recorded as being found in or released from healthcare, pharmaceuticals, and veterinary products, specifically as an antiviral. The recorded route of exposure for this substance is oral. In terms of biological activity, dolutegravir acts upon two recorded protein targets: the Gag-Pol polyprotein (gag-pol) and as an inhibitor/modulator of the Gag-Pol polyprotein.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C20H19F2N3O5</chemical_formula>
  <average_molecular_weight>419.385</average_molecular_weight>
  <monisotopic_moleculate_weight>419.1292771</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1051375-16-6</cas_registry_number>
  <smiles>[H][C@]12CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(O)=C3C(=O)N1[C@H](C)CCO2</smiles>
  <inchi>InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1</inchi>
  <inchikey>RHWKPHLQXYSBKR-BMIGLBTASA-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>Dolutegravir Action Pathway</name>
      <smpdb_id>SMP0125912</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Dolutegravir Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144224</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>419.385</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>419.1292771</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@]12CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(O)=C3C(=O)N1[C@H](C)CCO2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H19F2N3O5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RHWKPHLQXYSBKR-BMIGLBTASA-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:0x00007f72678f0828&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB08930</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>54726191</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
