<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 20:03:17 UTC</creation_date>
  <update_date>2026-08-22 11:08:22 UTC</update_date>
  <accession/>
  <common_name>Avacopan</common_name>
  <class>SmallMolecule</class>
  <description>Avacopan is an organic compound with the chemical formula C33H35F4N3O2. Avacopan belongs to the benzoyl derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 581.66 g/mol, Avacopan is a heavy molecule.

In terms of biological activity, this compound acts as an antagonist of the C5a anaphylatoxin chemotactic receptor 1 (C5AR1). Avacopan is found in or released from two recorded sources: healthcare, pharmaceuticals &amp; veterinary products, specifically as an immunosuppressant, and household cleaning &amp; consumer products, specifically soap dispensers. The recorded exposure route for the compound is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C33H35F4N3O2</chemical_formula>
  <average_molecular_weight>581.656</average_molecular_weight>
  <monisotopic_moleculate_weight>581.266540031</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1346623-17-3</cas_registry_number>
  <smiles>CC1=CC=C(NC(=O)[C@H]2CCCN([C@H]2C2=CC=C(NC3CCCC3)C=C2)C(=O)C2=C(F)C=CC=C2C)C=C1C(F)(F)F</smiles>
  <inchi>InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1</inchi>
  <inchikey>PUKBOVABABRILL-YZNIXAGQSA-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>Avacopan Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0145235</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>7.59</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>581.656</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>581.266540031</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=CC=C(NC(=O)[C@H]2CCCN([C@H]2C2=CC=C(NC3CCCC3)C=C2)C(=O)C2=C(F)C=CC=C2C)C=C1C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C33H35F4N3O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PUKBOVABABRILL-YZNIXAGQSA-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:0x00007f7226baad20&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB15011</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>49841217</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>BE0010095</target_id>
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</compound>
