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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

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  CHEBI ontology 19823
    role 19773
      application 19486
        pharmaceutical 19335
          drug 19335
            cardiovascular drug 7684
              antihypertensive agent 1850
                enrasentan 2
Path 2
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  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    p-block element atom 19720
                      carbon group element atom 19643
                        carbon atom 19633
                          organic molecular entity 19633
                            organic molecule 19572
                              organic cyclic compound 19366
                                carbocyclic compound 18336
                                  benzenoid aromatic compound 17495
                                    benzenes 17282
                                      methoxybenzenes 1894
                                        monomethoxybenzene 1755
                                          enrasentan 2
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