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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:ivabradine
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Accession:CHEBI:85966 term browser browse the term
Definition:A member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure.
Synonyms:exact_synonym: 3-{3-[{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
 related_synonym: Formula=C27H36N2O5;   InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1;   InChIKey=ACRHBAYQBXXRTO-OAQYLSRUSA-N;   S 16257;   S-16257-2;   SMILES=COc1cc2C[C@H](CN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC
 xref: CAS:155974-00-8;   Drug_Central:3312;   KEGG:D07165
 xref_mesh: MESH:C088408
 xref: PMID:25158669;   PMID:25179314;   PMID:25240447;   PMID:25346368;   PMID:25350985;   PMID:25636072;   PMID:25656911;   PMID:25687888;   PMID:25700807;   PMID:25706659;   PMID:25733317;   PMID:25801408;   PMID:25809454;   PMID:25839989;   PMID:25911606;   PMID:25926678;   PMID:25953938;   PMID:25968495;   PMID:25982136;   PMID:25986146;   Reaxys:8366413;   Wikipedia:Ivabradine
 cyclic_relationship: is_conjugate_base_of CHEBI:85972



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ivabradine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Apoe apolipoprotein E affects response to substance ISO APOE affects the susceptibility to ivabradine CTD PMID:21821843 NCBI chr 1:79,353,924...79,357,852
Ensembl chr 1:79,353,916...79,357,932
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO ivabradine results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      application 19781
        pharmaceutical 19624
          drug 19655
            cardiovascular drug 7726
              cardiotonic drug 2191
                ivabradine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    main group molecular entity 19960
                      s-block molecular entity 19784
                        hydrogen molecular entity 19777
                          hydrides 19115
                            inorganic hydride 17901
                              pnictogen hydride 17884
                                nitrogen hydride 17773
                                  azane 17503
                                    ammonia 17521
                                      organic amino compound 17521
                                        tertiary amino compound 8860
                                          ivabradine 2
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