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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 chr19:33,928,356...33,991,703
Ensembl chr19:33,928,356...33,991,703 		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 chr15:88,004,775...88,036,354
Ensembl chr15:88,006,977...88,036,354 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      application 19391
        pharmaceutical 19272
          drug 19272
            cardiovascular drug 7613
              antihypertensive agent 1676
                enrasentan 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic molecule 19486
                              organic cyclic compound 19282
                                carbocyclic compound 18181
                                  benzenoid aromatic compound 17178
                                    benzenes 16920
                                      methoxybenzenes 1831
                                        monomethoxybenzene 1737
                                          enrasentan 2
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