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<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:06:57 UTC</creation_date>
  <update_date>2026-08-22 07:40:56 UTC</update_date>
  <accession/>
  <common_name>Fedratinib</common_name>
  <class>SmallMolecule</class>
  <description>Fedratinib is an organic compound with the chemical formula C27H36N6O3S. Fedratinib belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 524.68 g/mol, Fedratinib is a heavy molecule.

This compound is utilized in healthcare, pharmaceuticals, and veterinary products, specifically as an antineoplastic agent and gynecological product, and is administered via the oral exposure route. Fedratinib acts on three recorded protein targets, functioning as an inhibitor of Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK1, and Receptor-type tyrosine-protein kinase FLT3.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C27H36N6O3S</chemical_formula>
  <average_molecular_weight>524.68</average_molecular_weight>
  <monisotopic_moleculate_weight>524.25696</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>936091-26-8</cas_registry_number>
  <smiles>CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC(=CC=C1)S(=O)(=O)NC(C)(C)C</smiles>
  <inchi>InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)</inchi>
  <inchikey>JOOXLOJCABQBSG-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>Fedratinib Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144869</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.64</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>524.68</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>524.25696</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC(=CC=C1)S(=O)(=O)NC(C)(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C27H36N6O3S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JOOXLOJCABQBSG-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227989748&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB12500</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>16722836</pubchem_compound_id>
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