Chemical substance: Ponatinib hydrochloride — small-molecule tyrosine kinase inhibitor targeting BCR-ABL (id = "ponatinib-hcl")

<?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>