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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 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
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 1:263,554,426...263,612,556
Ensembl chr 1:263,554,453...263,613,252
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 chr10:82,047,308...82,116,928
Ensembl chr10:82,047,863...82,117,109
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 6:104,617,730...104,631,355
Ensembl chr 6:104,617,730...104,631,355
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      application 19412
        solvent 16544
          ethylene glycol 137
            ACT-132577 4
              macitentan 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      chalcogen 19401
                        oxygen atom 19364
                          oxygen molecular entity 19364
                            hydroxides 19087
                              oxoacid 18318
                                chalcogen oxoacid 11502
                                  sulfur oxoacid 11109
                                    sulfuric acid 8022
                                      sulfuric acid derivative 8022
                                        sulfuric amide 21
                                          sulfamides 21
                                            ACT-132577 4
                                              macitentan 4
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