<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 04:11:32 UTC</creation_date>
  <update_date>2026-08-22 05:12:01 UTC</update_date>
  <accession/>
  <common_name>Linagliptin</common_name>
  <class>SmallMolecule</class>
  <description>Linagliptin is an organic compound with the chemical formula C25H28N8O2 and an average molecular weight of 472.54 g/mol. Linagliptin belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. In terms of biological activity, the compound acts as an inhibitor of the protein target Dipeptidyl peptidase 4 (DPP4).

The compound is associated with 30 recorded sources across several diverse categories. Within healthcare, pharmaceuticals, and veterinary products, it is identified as a blood glucose lowering drug, excluding insulins, with oral exposure being the recorded route. Other recorded sources include food, food processing, and cookware, specifically the processing of fish. It is also found in household items such as badges and key rings, as well as household cleaning and consumer products including soap dispensers, pipe accessories, tobacco pipes, match receptacles or boxes, and stands for smoker requisites. In the building and construction sector, sources include floors, fencing, ladders, stairs and ramps, and sunshades, awnings, or outside screens. Additionally, the compound is released from electrical and electronic equipment, including amplifiers, antennas, auxiliary devices, adjustable resistors, and colour television systems.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C25H28N8O2</chemical_formula>
  <average_molecular_weight>472.5422</average_molecular_weight>
  <monisotopic_moleculate_weight>472.2335221</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>668270-12-0</cas_registry_number>
  <smiles>CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1</smiles>
  <inchi>InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1</inchi>
  <inchikey>LTXREWYXXSTFRX-QGZVFWFLSA-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>Linagliptin Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144199</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>472.5422</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>472.2335221</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C25H28N8O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LTXREWYXXSTFRX-QGZVFWFLSA-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:0x00007f3bafb051e8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB08882</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>10096344</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>8271879</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>
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      <target_id>BE0000854</target_id>
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</compound>
