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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
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        pharmaceutical 19494
          drug 19494
            cardiovascular drug 8620
              cardiotonic drug 2234
                ivabradine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19113
                            inorganic hydride 18117
                              pnictogen hydride 18106
                                nitrogen hydride 18013
                                  azane 17821
                                    ammonia 17820
                                      organic amino compound 17820
                                        tertiary amino compound 10138
                                          ivabradine 2
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