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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
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Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      application 19627
        pharmaceutical 19468
          drug 19468
            cardiovascular drug 8613
              cardiotonic drug 2233
                ivabradine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      s-block molecular entity 19595
                        hydrogen molecular entity 19582
                          hydrides 19095
                            inorganic hydride 18093
                              pnictogen hydride 18082
                                nitrogen hydride 17989
                                  azane 17798
                                    ammonia 17797
                                      organic amino compound 17797
                                        tertiary amino compound 10131
                                          ivabradine 2
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