<?xml version="1.0" encoding="UTF-8"?>

  <!-- Example: Ponatinib hydrochloride — a tyrosine kinase inhibitor used for
     chronic myeloid leukemia. Chemical substance from ISO 11238 IG examples.
     Demonstrates SubstanceDefinition for a small-molecule chemical with
     moiety (the salt: HCl) and target relationship (BCR-ABL kinase). -->
<SubstanceDefinition xmlns="http://hl7.org/fhir">
  <id value="ponatinib-hcl"/>
  <identifier>
    <system value="http://example.europa.eu/fhir/SMSId"/>
    <value value="PONA4321C"/>
  </identifier>
  <status>
    <coding>
      <system value="http://hl7.org/fhir/publication-status"/>
      <code value="active"/>
      <display value="Active"/>
    </coding>
  </status>
  <classification>
    <coding>
      <system value="http://example.europa.eu/fhir/SubstanceType"/>
      <code value="chemical"/>
      <display value="Chemical"/>
    </coding>
  </classification>
  <domain>
    <coding>
      <system value="http://example.europa.eu/fhir/Domain"/>
      <code value="human"/>
      <display value="Human use"/>
    </coding>
  </domain>
  <description value="Ponatinib hydrochloride — a small-molecule tyrosine kinase inhibitor (TKI) used in the treatment of chronic myeloid leukemia (CML) and Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph+ ALL). Hydrochloride salt of ponatinib."/>
  <code>
    <code>
      <coding>
        <system value="http://example.europa.eu/fhir/Substance"/>
        <code value="PONA4321C"/>
      </coding>
    </code>
  </code>
  <name>
    <name value="Ponatinib Hydrochloride"/>
    <preferred value="true"/>
    <language>
      <coding>
        <system value="urn:ietf:bcp:47"/>
        <code value="en"/>
        <display value="English"/>
      </coding>
    </language>
    <official>
      <authority>
        <coding>
          <system value="http://hl7.org/fhir/substance-name-authority"/>
          <code value="USAN"/>
          <display value="USAN"/>
        </coding>
      </authority>
      <status>
        <coding>
          <system value="http://hl7.org/fhir/publication-status"/>
          <code value="active"/>
          <display value="Active"/>
        </coding>
      </status>
    </official>
  </name>
  <molecularWeight>
    <type>
      <coding>
        <system value="http://example.europa.eu/fhir/WeightType"/>
        <code value="exact"/>
        <display value="Exact"/>
      </coding>
    </type>
    <amount>
      <value value="569.04"/>
      <unit value="g/mol"/>
      <system value="http://unitsofmeasure.org"/>
      <code value="g/mol"/>
    </amount>
  </molecularWeight>
  <moiety>
    <role>
      <coding>
        <system value="http://example.europa.eu/fhir/MoietyRole"/>
        <code value="active-moiety"/>
        <display value="Active moiety"/>
      </coding>
    </role>
    <name value="Ponatinib"/>
    <molecularFormula value="C29H27F3N6O"/>
  </moiety>
  <moiety>
    <role>
      <coding>
        <system value="http://example.europa.eu/fhir/MoietyRole"/>
        <code value="counter-ion"/>
        <display value="Counter-ion (salt)"/>
      </coding>
    </role>
    <name value="Hydrochloride"/>
    <molecularFormula value="HCl"/>
  </moiety>
  <relationship>
    <substanceDefinitionCodeableConcept>
      <coding>
        <system value="https://www.uniprot.org"/>
        <code value="A9UF07"/>
        <display value="BCR-ABL1 fusion kinase"/>
      </coding>
    </substanceDefinitionCodeableConcept>
    <type>
      <coding>
        <system value="http://hl7.org/fhir/substance-relationship-type"/>
        <code value="TherapeuticTarget"/>
        <display value="Therapeutic target"/>
      </coding>
    </type>
    <interaction>
      <coding>
        <system value="http://hl7.org/fhir/substance-interaction-type"/>
        <code value="inhibition"/>
        <display value="Inhibition"/>
      </coding>
    </interaction>
    <measurementType>
      <coding>
        <system value="http://hl7.org/fhir/substance-measurement-type"/>
        <code value="ic50"/>
        <display value="IC50"/>
      </coding>
    </measurementType>
    <amountQuantity>
      <value value="0.37"/>
      <unit value="nM"/>
      <system value="http://unitsofmeasure.org"/>
      <code value="nmol/L"/>
    </amountQuantity>
  </relationship>
</SubstanceDefinition>