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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 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 19821
    role 19769
      application 19481
        solvent 16636
          ethylene glycol 137
            macitentan 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      chalcogen 19469
                        oxygen atom 19445
                          oxygen molecular entity 19445
                            hydroxides 19180
                              oxoacid 18498
                                chalcogen oxoacid 11491
                                  sulfur oxoacid 11099
                                    sulfuric acid 8012
                                      sulfuric acid derivative 8012
                                        sulfuric amide 22
                                          sulfamides 22
                                            ACT-132577 4
                                              macitentan 4
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