<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 20:41:56 UTC</creation_date>
  <update_date>2026-08-22 02:54:34 UTC</update_date>
  <accession/>
  <common_name>Nedisertib</common_name>
  <class>SmallMolecule</class>
  <description>Nedisertib is an organic compound with the chemical formula C24H21ClFN5O3 and an average molecular weight of 481.91 g/mol. Nedisertib belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. It is further classified as an organoheterocyclic compound.

Regarding its biological activity, Nedisertib acts as an inhibitor of the DNA-dependent protein kinase catalytic subunit (PRKDC). The compound has been recorded as being found in or released from two sources: antennas and line transmission systems within electrical and electronic equipment.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C24H21ClFN5O3</chemical_formula>
  <average_molecular_weight>481.91</average_molecular_weight>
  <monisotopic_moleculate_weight>481.1316954</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1637542-33-6</cas_registry_number>
  <smiles>COC1=NN=C(C=C1)[C@@H](O)C1=C(Cl)C=C(F)C(=C1)C1=NC=NC2=C1C=CC(=C2)N1CCOCC1</smiles>
  <inchi>InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1</inchi>
  <inchikey>MOWXJLUYGFNTAL-DEOSSOPVSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <sub_class/>
    <direct_parent/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.58</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>481.91</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>481.1316954</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=NN=C(C=C1)[C@@H](O)C1=C(Cl)C=C(F)C(=C1)C1=NC=NC2=C1C=CC(=C2)N1CCOCC1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C24H21ClFN5O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MOWXJLUYGFNTAL-DEOSSOPVSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <symptoms/>
  <treatment/>
  <drugbank_id>DB16252</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>86292849</pubchem_compound_id>
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