<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 16:01:15 UTC</creation_date>
  <update_date>2026-08-22 06:30:13 UTC</update_date>
  <accession/>
  <common_name>Tirbanibulin</common_name>
  <class>SmallMolecule</class>
  <description>Tirbanibulin is an organic compound with the formula C26H29N3O3 and an average molecular weight of 431.54 g/mol. Tirbanibulin belongs to the phenylpyridines, a subclass of pyridines and derivatives within the organic compounds.

This compound is categorized as an organoheterocyclic compound. It is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically as a chemotherapeutic agent, and is administered via topical exposure. Tirbanibulin acts on two recorded protein targets, serving as an inhibitor of the tubulin beta chain (TUBB) and the proto-oncogene tyrosine-protein kinase Src (SRC).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C26H29N3O3</chemical_formula>
  <average_molecular_weight>431.536</average_molecular_weight>
  <monisotopic_moleculate_weight>431.220891806</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>897016-82-9</cas_registry_number>
  <smiles>O=C(CC1=CC=C(C=N1)C1=CC=C(OCCN2CCOCC2)C=C1)NCC1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)</inchi>
  <inchikey>HUNGUWOZPQBXGX-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>Tirbanibulin Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0143988</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.21</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>431.536</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>431.220891806</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=C(CC1=CC=C(C=N1)C1=CC=C(OCCN2CCOCC2)C=C1)NCC1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C26H29N3O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>HUNGUWOZPQBXGX-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:0x00007f3bf8c0ee38&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB06137</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>23635314</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
