<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 20:35:57 UTC</creation_date>
  <update_date>2026-08-22 08:46:56 UTC</update_date>
  <accession/>
  <common_name>Atogepant</common_name>
  <class>SmallMolecule</class>
  <description>Atogepant is a chemical compound with the molecular formula C29H23F6N5O3. Atogepant 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 603.52 g/mol, Atogepant is a heavy molecule.

In terms of biological activity, the compound acts as an antagonist of the Calcitonin gene-related peptide type 1 receptor (CALCRL). The recorded route of exposure for this substance is oral.

Atogepant is associated with 10 recorded sources across various sectors. Within healthcare, pharmaceuticals, and veterinary products, it is found in analgesics. It is also identified in food, food processing, and cookware, specifically in the processing of fish. In the building and construction sector, it is linked to ceilings, stairs, and ramps. Additionally, it is found in electrical and electronic equipment, including antennas, selectors, superconducting magnets, superconducting coils, discharge tubes with liquid pool cathodes, electric hearing aids, and one other source.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C29H23F6N5O3</chemical_formula>
  <average_molecular_weight>603.525</average_molecular_weight>
  <monisotopic_moleculate_weight>603.170508599</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1374248-81-3</cas_registry_number>
  <smiles>C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=C4C=CC=N2)C(=O)N1CC(F)(F)F)C1=C(F)C(F)=CC=C1F</smiles>
  <inchi>InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1</inchi>
  <inchikey>QIVUCLWGARAQIO-OLIXTKCUSA-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>Atogepant Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0145286</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Atogepant Predicted Metabolism Pathway</name>
      <smpdb_id>SMP0174566</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>603.525</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>603.170508599</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=C4C=CC=N2)C(=O)N1CC(F)(F)F)C1=C(F)C(F)=CC=C1F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C29H23F6N5O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QIVUCLWGARAQIO-OLIXTKCUSA-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:0x00007f726c459c60&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB16098</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>72163100</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>BE0009009</target_id>
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  </targets>
</compound>
