<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:54:28 UTC</creation_date>
  <update_date>2026-08-20 02:14:41 UTC</update_date>
  <accession/>
  <common_name>Cabotegravir</common_name>
  <class>SmallMolecule</class>
  <description>Cabotegravir is an organic compound with the formula C19H17F2N3O5 and an average molecular weight of 405.36 g/mol. Cabotegravir 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). Recorded exposure routes for this substance include oral and intramuscular administration. Regarding its biological activity, cabotegravir is associated with two recorded protein targets, acting as an inhibitor of Gag-Pol polyprotein and targeting the Gag-Pol polyprotein (gag-pol).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C19H17F2N3O5</chemical_formula>
  <average_molecular_weight>405.358</average_molecular_weight>
  <monisotopic_moleculate_weight>405.1136271</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1051375-10-0</cas_registry_number>
  <smiles>C[C@H]1CO[C@@H]2CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(O)=C3C(=O)N12</smiles>
  <inchi>InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1</inchi>
  <inchikey>WCWSTNLSLKSJPK-LKFCYVNXSA-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>Cabotegravir Action Pathway</name>
      <smpdb_id>SMP0125914</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Cabotegravir Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144775</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.04</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>405.358</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>405.1136271</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C[C@H]1CO[C@@H]2CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(O)=C3C(=O)N12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C19H17F2N3O5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WCWSTNLSLKSJPK-LKFCYVNXSA-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:0x00007f7226aed680&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11751</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>54713659</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
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</compound>
