<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:50:50 UTC</creation_date>
  <update_date>2026-08-22 05:07:45 UTC</update_date>
  <accession/>
  <common_name>Brexpiprazole</common_name>
  <class>SmallMolecule</class>
  <description>Brexpiprazole is an organic compound with the chemical formula C25H27N3O2S and an average molecular weight of 433.57 g/mol. Brexpiprazole belongs to the piperazines, a subclass of diazinanes within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds.

The compound is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products, specifically as an antipsychotic. The recorded exposure route for this substance is oral. Brexpiprazole interacts with twelve recorded protein targets. It acts as an antagonist or partial agonist of the D(2) dopamine receptor (DRD2), 5-hydroxytryptamine receptor 1A (HTR1A), 5-hydroxytryptamine receptor 2A (HTR2A), and the Alpha-2C adrenergic receptor (ADRA2C), in addition to eight other proteins.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C25H27N3O2S</chemical_formula>
  <average_molecular_weight>433.57</average_molecular_weight>
  <monisotopic_moleculate_weight>433.1823981</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>913611-97-9</cas_registry_number>
  <smiles>O=C1NC2=C(C=C1)C=CC(OCCCCN1CCN(CC1)C1=C3C=CSC3=CC=C1)=C2</smiles>
  <inchi>InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)</inchi>
  <inchikey>ZKIAIYBUSXZPLP-UHFFFAOYSA-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>Brexpiprazole Dopamine Agonist Action Pathway</name>
      <smpdb_id>SMP0126698</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Brexpiprazole Serotonin Action Action Pathway</name>
      <smpdb_id>SMP0126699</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Brexpiprazole Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144329</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Brexpiprazole Predicted Metabolism Pathway</name>
      <smpdb_id>SMP0174646</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.65</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>433.57</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>433.1823981</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=C1NC2=C(C=C1)C=CC(OCCCCN1CCN(CC1)C1=C3C=CSC3=CC=C1)=C2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C25H27N3O2S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZKIAIYBUSXZPLP-UHFFFAOYSA-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:0x00007f7278267810&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB09128</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>11978813</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <uniprot_id/>
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  <biocyc_id/>
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  <general_references/>
  <targets>
    <target>
      <target_id/>
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