<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 15:37:16 UTC</creation_date>
  <update_date>2026-05-14 18:13:42 UTC</update_date>
  <accession/>
  <common_name>Motexafin lutetium</common_name>
  <class>SmallMolecule</class>
  <description>Motexafin lutetium is a chemical compound with the formula C52H72LuN5O14. With an average molecular weight of 1,166 g/mol, Motexafin lutetium is a heavy molecule. In terms of biological activity, there is one recorded protein target for this compound, as it acts as a modulator of Prostate-specific antigen (KLK3).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C52H72LuN5O14</chemical_formula>
  <average_molecular_weight>1166.136</average_molecular_weight>
  <monisotopic_moleculate_weight>1165.44836</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>246252-04-0</cas_registry_number>
  <smiles>[Lu+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(\C=C3/N=C(/C=N/C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C4=N\C(=C/2)\C(CCCO)=C4C)C(C)=C3CCCO)=C1CC</smiles>
  <inchi>InChI=1S/C48H66N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;</inchi>
  <inchikey>ZCISRIHHEXSWIR-WRIGXHCHSA-L</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/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>6.76</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>1166.136</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>1165.44836</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Lu+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(\C=C3/N=C(/C=N/C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C4=N\C(=C/2)\C(CCCO)=C4C)C(C)=C3CCCO)=C1CC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C52H72LuN5O14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C48H66N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZCISRIHHEXSWIR-WRIGXHCHSA-L</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:0x00007f7225d217e0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB05296</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>3081907</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>
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    <target>
      <target_id>BE0008983</target_id>
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</compound>
