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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:ACT-333679
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Accession:CHEBI:90848 term browser browse the term
Definition:A member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension.
Synonyms:exact_synonym: {4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid
 related_synonym: ACT333679;   Formula=C25H29N3O3;   InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30);   InChIKey=OJQMKCBWYCWFPU-UHFFFAOYSA-N;   MRE 269;   MRE269;   SMILES=C1(=C(N=CC(=N1)N(CCCCOCC(O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3
 xref: CAS:475085-57-5;   PMID:23872196;   PMID:24392948;   PMID:25277144;   PMID:25552906;   PMID:25850750;   PMID:25851691;   PMID:26152132;   PMID:26291199;   Reaxys:11140228


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Path 1
Term Annotations click to browse term
  CHEBI ontology 903
    role 862
      application 501
        pharmaceutical 445
          drug 445
            orphan drug 0
              ACT-333679 0
                selexipag 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 903
    subatomic particle 888
      composite particle 888
        hadron 888
          baryon 888
            nucleon 888
              atomic nucleus 888
                atom 888
                  main group element atom 857
                    p-block element atom 854
                      carbon group element atom 830
                        carbon atom 829
                          organic molecular entity 829
                            organic group 392
                              organic divalent group 390
                                organodiyl group 390
                                  carbonyl group 389
                                    carbonyl compound 389
                                      carboxylic acid 267
                                        monocarboxylic acid 135
                                          ACT-333679 0
                                            selexipag 0
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