<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_2948"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="https://w3id.org/chemrof/"
     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:obo="http://purl.obolibrary.org/obo#"
     xmlns:ns4="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo#has_role -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo#has_role">
        <rdfs:label>has_role</rdfs:label>
    </ObjectProperty>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_2948 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_2948">
        <rdfs:label>azathioprine</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35666"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35221"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35610"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns5:charge>
        <ns5:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">277.03819</ns5:monoisotopic_mass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">277.269</ns5:mass>
        <oboInOwl:hasDbXref>pubmed:25314066</oboInOwl:hasDbXref>
        <ns5:generalized_empirical_formula>C9H7N7O2S</ns5:generalized_empirical_formula>
        <oboInOwl:hasDbXref>drugcentral:269</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25581826</oboInOwl:hasDbXref>
        <ns5:inchi_key_string>LMEKQMALGUDUQG-UHFFFAOYSA-N</ns5:inchi_key_string>
        <ns5:inchi_string>InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)</ns5:inchi_string>
        <oboInOwl:hasDbXref>pubmed:9273463</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15476481</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15628319</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15973722</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18336531</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25443086</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16397313</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:446-86-6</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>MESH:D001379</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25248004</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>SNOMEDCT:111165009</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:17381669</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15199672</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn&#39;s didease and MS.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:17970886</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16344342</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:28166217</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:2948</oboInOwl:id>
        <oboInOwl:hasDbXref>KEGG DRUG:D00238</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB00993</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChEMBL:531141</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11064448</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>NCIt:C290</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>SNOMEDCT:372574004</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG DRUG:446-86-6</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Imuran (TN)</oboInOwl:hasRelatedSynonym>
        <ns5:smiles_string>Cn1cnc([N+](=O)[O-])c1Sc1ncnc2ncnc12</ns5:smiles_string>
        <oboInOwl:hasDbXref>pubmed:8738760</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:20080917</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:9345422</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChemIDplus:446-86-6</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16764353</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16954801</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Azathioprine</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19243907</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25440430</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:1225351</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>kegg.drug:D00238</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18008354</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25641386</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>6-(1&#39;-Methyl-4&#39;-nitro-5&#39;-imidazolyl)-mercaptopurine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C06837</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35221 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35221">
        <rdfs:label>antimetabolite</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35610 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35610">
        <rdfs:label>antineoplastic agent</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35666 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35666">
        <rdfs:label>thiopurine</rdfs:label>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



