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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:enrasentan
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Accession:CHEBI:156258 term browser browse the term
Definition:A member of the class of indanes that is 2,3-dihydro-1H-indene which is substituted by a 1,3-benzodioxol-5-yl group, carboxy group, 2-(2-hydroxyethoxy)-4-methoxyphenyl group and a propoxy group at positions 1S, 2R, 3S and 5, respectively. It is an orally active mixed endothelin A/B receptor antagonist with a 100-fold greater affinity for the endothelin A receptor. The drug was being developed by GSK for the treatment of congestive heart failure and pulmonary hypertension (clinical trials discontinued).
Synonyms:exact_synonym: (1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid
 related_synonym: (1S,2R,3S)-3-(2-(2-hydroxyethoxy)-4-methoxyphenyl)-1-(3,4-(methylenedioxy)phenyl)-5-propoxy-2-indancarboxylic acid;   Formula=C29H30O8;   InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1;   InChIKey=GLCKXJLCYIJMRB-UPRLRBBYSA-N;   SB-217242;   SB217242;   SMILES=[C@@]1([C@]([C@@](C=2C=C(C=CC12)OCCC)(C=3C(=CC(=CC3)OC)OCCO)[H])(C(=O)O)[H])(C=4C=C5OCOC5=CC4)[H];   enrasentanum
 xref: CAS:167256-08-8;   DrugBank:DB06460
 xref_mesh: MESH:C098288
 xref: PMID:10208832;   PMID:10610275;   PMID:11078416;   PMID:11588531;   PMID:11904522;   PMID:12376360;   PMID:12595914;   PMID:16339819;   PMID:8587428;   PMID:8632328;   PMID:9399985;   PMID:9595469;   PMID:9595510;   PMID:9631875;   PMID:9988883


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enrasentan term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ednra endothelin receptor type A multiple interactions ISO enrasentan binds to and results in decreased activity of EDNRA protein CTD PMID:16219361 NCBI chr19:30,233,540...30,303,727
Ensembl chr19:30,233,571...30,297,049 		JBrowse link
G Ednrb endothelin receptor type B multiple interactions ISO enrasentan binds to and results in decreased activity of EDNRB protein CTD PMID:16219361 NCBI chr15:80,640,839...80,672,115
Ensembl chr15:80,643,043...80,672,115 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      application 19707
        pharmaceutical 19542
          drug 19542
            cardiovascular drug 8652
              antihypertensive agent 1948
                enrasentan 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            organic molecule 19719
                              organic cyclic compound 19509
                                carbocyclic compound 18598
                                  benzenoid aromatic compound 18031
                                    benzenes 17899
                                      methoxybenzenes 2065
                                        monomethoxybenzene 1866
                                          enrasentan 2
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