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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:selexipag
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Accession:CHEBI:90844 term browser browse the term
Definition:A member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid).
Synonyms:exact_synonym: 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide
 related_synonym: ACT-293987;   Formula=C26H32N4O4S;   InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31);   InChIKey=QXWZQTURMXZVHJ-UHFFFAOYSA-N;   NS 304;   SMILES=C1(=C(N=CC(=N1)N(CCCCOCC(NS(C)(=O)=O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3;   Uptravi
 xref: CAS:475086-01-2;   Drug_Central:5077;   KEGG:D09994;   PMID:24392948;   PMID:25277144;   PMID:25552906;   PMID:25850750;   PMID:25851691;   PMID:26152132;   PMID:26291199;   PMID:26567613;   PMID:26699168;   Reaxys:11140227;   Wikipedia:Selexipag


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      application 19406
        pro-agent 8879
          prodrug 8634
            selexipag 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        carboacyl group 17416
                                          univalent carboacyl group 17416
                                            carbamoyl group 17213
                                              carboxamide 17213
                                                monocarboxylic acid amide 14602
                                                  selexipag 0
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