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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:macitentan
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Accession:CHEBI:76607 term browser browse the term
Definition:A member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. 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]-N'-propylsulfuric diamide
 related_synonym: ACT 064992;   ACT064992;   Formula=C19H20Br2N6O4S;   InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27);   InChIKey=JGCMEBMXRHSZKX-UHFFFAOYSA-N;   OPSUMIT;   SMILES=CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1;   macitentanum
 xref: CAS:441798-33-0;   Drug_Central:4809;   KEGG:D10135
 xref_mesh: MESH:C533860
 xref: PMID:21403842;   PMID:22189899;   PMID:22311911;   PMID:22348175;   PMID:22458347;   PMID:22525377;   PMID:22862294;   PMID:23068290;   PMID:23077657;   PMID:23192269;   PMID:23204120;   PMID:23353592;   PMID:23568224;   PMID:23682110;   PMID:23817130;   PMID:23830395;   PMID:23900878;   PMID:23984728;   PMID:23997048;   PMID:24122306;   PMID:24122797;   PMID:24249746;   PMID:24261583;   PMID:24297706;   Patent:US2008233188;   Patent:WO2007119214;   Patent:WO2008026156;   Reaxys:11340634;   Wikipedia:Macitentan


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macitentan term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP-binding cassette, sub-family B (MDR/TAP), member 1A decreases expression ISO macitentan results in decreased expression of ABCB1 mRNA CTD PMID:28369585 NCBI chr 5:8,567,091...8,748,575
Ensembl chr 5:8,660,077...8,748,575
JBrowse link
G Abcc2 ATP-binding cassette, sub-family C (CFTR/MRP), member 2 decreases expression ISO macitentan results in decreased expression of ABCC2 mRNA CTD PMID:28369585 NCBI chr19:43,782,308...43,838,332
Ensembl chr19:43,782,192...43,840,740
JBrowse link
G Abcc3 ATP-binding cassette, sub-family C (CFTR/MRP), member 3 decreases expression ISO macitentan results in decreased expression of ABCC3 mRNA CTD PMID:28369585 NCBI chr11:94,343,295...94,393,017
Ensembl chr11:94,343,295...94,392,997
JBrowse link
G Slc10a1 solute carrier family 10 (sodium/bile acid cotransporter family), member 1 decreases expression ISO macitentan results in decreased expression of SLC10A1 mRNA CTD PMID:28369585 NCBI chr12:80,953,185...80,968,705
Ensembl chr12:80,953,183...80,968,705
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21720
    role 21698
      application 21210
        solvent 17567
          ethylene glycol 138
            macitentan 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 21720
    subatomic particle 21706
      composite particle 21706
        hadron 21706
          baryon 21706
            nucleon 21706
              atomic nucleus 21706
                atom 21706
                  main group element atom 21621
                    p-block element atom 21621
                      chalcogen 20754
                        oxygen atom 20732
                          oxygen molecular entity 20732
                            hydroxides 20159
                              oxoacid 19438
                                chalcogen oxoacid 11859
                                  sulfur oxoacid 11464
                                    sulfuric acid 8302
                                      sulfuric acid derivative 8302
                                        sulfuric amide 21
                                          sulfamides 21
                                            ACT-132577 4
                                              macitentan 4
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