<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-15 18:12:47 UTC</creation_date>
  <update_date>2026-08-22 08:51:37 UTC</update_date>
  <accession/>
  <common_name>Opnurasib</common_name>
  <class>SmallMolecule</class>
  <description>Opnurasib is an organic compound with the chemical formula C29H28ClN7O. Opnurasib belongs to the pyrazoles, a subclass of azoles within the organic compounds. With an average molecular weight of 526.04 g/mol, Opnurasib is a heavy molecule. In terms of biological activity, it acts as an inhibitor of the protein target GTPase KRas (KRAS).

The compound has been identified in or released from 13 recorded sources across several diverse categories. Within electrical and electronic equipment, it is associated with antennas, relays, amplifiers, sparking plugs, and line transmission systems, among one other source. It is also found in food, cookware, and food processing environments, specifically in the treatment of hops, processing fish, and agglomerated sugar products. Additionally, Opnurasib is linked to household cleaning and consumer products, including soap dispensers and tobacco product cases. Other recorded sources include household items such as medals and building and construction materials, specifically tents or canopies.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C29H28ClN7O</chemical_formula>
  <average_molecular_weight>526.04</average_molecular_weight>
  <monisotopic_moleculate_weight>525.2043862</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>2653994-08-0</cas_registry_number>
  <smiles>CN1N=CC2=CC(=CC=C12)C1=NN(C2CC3(C2)CN(C3)C(=O)C=C)C(C)=C1C1=C2C=NNC2=CC(C)=C1Cl</smiles>
  <inchi>InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)</inchi>
  <inchikey>AZUYLZMQTIKGSC-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/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>526.04</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>525.2043862</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CN1N=CC2=CC(=CC=C12)C1=NN(C2CC3(C2)CN(C3)C(=O)C=C)C(C)=C1C1=C2C=NNC2=CC(C)=C1Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C29H28ClN7O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>AZUYLZMQTIKGSC-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:0x00007f7224510660&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB21583</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>156501355</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
