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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;   PMID:19765655;   PMID:21541781;   PMID:22189899;   PMID:23568224;   PMID:23817130;   PMID:23900878;   PMID:24122797;   Patent:US2008233188;   Patent:WO2007119214;   Patent:WO2008026156;   Reaxys:11340634


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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 19791
    role 19739
      application 19386
        solvent 16446
          ethylene glycol 135
            ACT-132577 4
              macitentan 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19791
    subatomic particle 19789
      composite particle 19789
        hadron 19789
          baryon 19789
            nucleon 19789
              atomic nucleus 19789
                atom 19789
                  main group element atom 19675
                    p-block element atom 19675
                      chalcogen 19379
                        oxygen atom 19340
                          oxygen molecular entity 19340
                            hydroxides 19080
                              oxoacid 18176
                                chalcogen oxoacid 11480
                                  sulfur oxoacid 11080
                                    sulfuric acid 8012
                                      sulfuric acid derivative 8012
                                        sulfuric amide 18
                                          sulfamides 18
                                            ACT-132577 4
                                              macitentan 4
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