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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-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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Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A decreases expression ISO macitentan results in decreased expression of ABCB1 mRNA CTD PMID:28369585 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
JBrowse link
G Abcc2 ATP binding cassette subfamily C member 2 decreases expression ISO macitentan results in decreased expression of ABCC2 mRNA CTD PMID:28369585 NCBI chr 1:242,664,657...242,723,239
Ensembl chr 1:242,664,657...242,723,238
JBrowse link
G Abcc3 ATP binding cassette subfamily C member 3 decreases expression ISO macitentan results in decreased expression of ABCC3 mRNA CTD PMID:28369585 NCBI chr10:79,296,681...79,342,749
Ensembl chr10:79,296,693...79,342,595
JBrowse link
G Slc10a1 solute carrier family 10 member 1 decreases expression ISO macitentan results in decreased expression of SLC10A1 mRNA CTD PMID:28369585 NCBI chr 6:100,613,045...100,626,670
Ensembl chr 6:100,613,045...100,626,670
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20057
    role 20023
      application 19770
        solvent 16730
          ethylene glycol 143
            ACT-132577 4
              macitentan 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 20057
    subatomic particle 20056
      composite particle 20068
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19971
                    p-block element atom 19971
                      chalcogen 19711
                        oxygen atom 19681
                          oxygen molecular entity 19681
                            hydroxides 19434
                              oxoacid 18741
                                chalcogen oxoacid 11735
                                  sulfur oxoacid 11369
                                    sulfuric acid 8148
                                      sulfuric acid derivative 8153
                                        sulfuric amide 23
                                          sulfamides 23
                                            ACT-132577 4
                                              macitentan 4
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