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ONTOLOGY REPORT - ANNOTATIONS


Term:ACT-132577
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Accession:CHEBI:76609 term browser browse the term
Definition:A member of the class of sulfamides in which one of the amino groups of sulfonamide is substituted by a 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl group. An active metabolite of macitentan (obtained by oxidative depropylation), an orphan drug used for the treatment of pulmonary arterial hypertension.
Synonyms:exact_synonym: N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]sulfuric diamide
 related_synonym: Formula=C16H14Br2N6O4S;   InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24);   InChIKey=DKULOVKANLVDEA-UHFFFAOYSA-N;   SMILES=NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
 xref: PMID:18780830 "Europe PMC";   PMID:19765655 "Europe PMC";   PMID:21541781 "Europe PMC";   PMID:22189899 "Europe PMC";   PMID:23568224 "Europe PMC";   PMID:23817130 "Europe PMC";   PMID:23900878 "Europe PMC";   PMID:24122797 "Europe PMC";   Patent:US2008233188;   Patent:WO2007119214;   Patent:WO2008026156;   Reaxys:11340634 "Reaxys"


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macitentan term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb1a ATP binding cassette subfamily B member 1A JBrowse link 4 22,339,829 22,517,642 RGD:6480464
G Abcc2 ATP binding cassette subfamily C member 2 JBrowse link 1 263,554,426 263,612,556 RGD:6480464
G Abcc3 ATP binding cassette subfamily C member 3 JBrowse link 10 82,047,308 82,116,928 RGD:6480464
G Slc10a1 solute carrier family 10 member 1 JBrowse link 6 104,617,730 104,631,355 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      application 19220
        solvent 16064
          ethylene glycol 105
            ACT-132577 4
              macitentan 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      chalcogen 19217
                        oxygen atom 19171
                          oxygen molecular entity 19171
                            hydroxides 18951
                              oxoacid 18064
                                chalcogen oxoacid 11391
                                  sulfur oxoacid 10981
                                    sulfuric acid 7910
                                      sulfuric acid derivative 7910
                                        sulfuric amide 17
                                          sulfamides 17
                                            ACT-132577 4
                                              macitentan 4
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