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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 1:80,612,894...80,616,820
Ensembl chr 1:80,612,895...80,617,057
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 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19775
    role 19722
      application 19411
        pharmaceutical 19309
          drug 19309
            cardiovascular drug 7676
              cardiotonic drug 2116
                ivabradine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19775
    subatomic particle 19774
      composite particle 19774
        hadron 19774
          baryon 19774
            nucleon 19774
              atomic nucleus 19774
                atom 19774
                  main group element atom 19665
                    main group molecular entity 19665
                      s-block molecular entity 19432
                        hydrogen molecular entity 19427
                          hydrides 18757
                            inorganic hydride 17485
                              pnictogen hydride 17462
                                nitrogen hydride 17316
                                  azane 17025
                                    ammonia 17024
                                      organic amino compound 17023
                                        tertiary amino compound 8675
                                          ivabradine 2
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