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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:vernakalant
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Accession:CHEBI:135956 term browser browse the term
Synonyms:related_synonym: Formula=C20H31NO4;   InChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1;   InChIKey=VBHQKCBVWWUUKN-KZNAEPCWSA-N;   RSD1235;   SMILES=O(CCC1=CC(OC)=C(C=C1)OC)[C@H]2[C@@H](CCCC2)N3CC[C@H](C3)O;   brinavess;   vernakalant HCl;   vernakalant hydrochloride
 xref: CAS:794466-70-9;   Drug_Central:4365
 xref_mesh: MESH:C524581


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vernakalant term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 increases metabolic processing ISO CYP2D6 protein results in increased metabolism of vernakalant CTD PMID:18927241 NCBI chr 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759 		JBrowse link
G Kcna5 potassium voltage-gated channel subfamily A member 5 affects binding
multiple interactions		 ISO vernakalant binds to KCNA5 protein
vernakalant binds to and results in decreased activity of KCNA5 protein		 CTD PMID:17872968 PMID:19713139 NCBI chr 4:159,354,689...159,358,173
Ensembl chr 4:159,350,097...159,357,697 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    chemical entity 19806
      molecular entity 19806
        polyatomic entity 19764
          heteroatomic molecular entity 19720
            hydroxides 19299
              organic hydroxy compound 18923
                alcohol 15686
                  vernakalant 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
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              organic cyclic compound 19468
                                organic aromatic compound 19336
                                  phenols 18605
                                    vernakalant 2
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