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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:nemadipine-A
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Accession:CHEBI:78546 term browser browse the term
Definition:A dihydropyridine that is that is 1,4-dihydropyridine which is substituted at positions 2 and 6 by methyl groups, at positions 3 and 5 by ethoxycarbonyl groups, and at position 4 by a pentafluorophenyl group. An L-type calcium channel alpha1-subunit antagonist. When exposed to the microscopic soil nematode Caenorhabditis elegans, nemadipine-A induces a variety of defects including those affecting morphology and egg laying.
Synonyms:exact_synonym: diethyl 2,6-dimethyl-4-(pentafluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
 related_synonym: Formula=C19H18F5NO4;   InChI=1S/C19H18F5NO4/c1-5-28-18(26)9-7(3)25-8(4)10(19(27)29-6-2)11(9)12-13(20)15(22)17(24)16(23)14(12)21/h11,25H,5-6H2,1-4H3;   InChIKey=QABNLWXKUCMDBP-UHFFFAOYSA-N;   SMILES=CCOC(=O)C1=C(C)NC(C)=C(C1c1c(F)c(F)c(F)c(F)c1F)C(=O)OCC
 xref: PMID:16672971;   PMID:18464914;   PMID:21684004;   PMID:24009855;   Reaxys:458028


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    role 19896
      biological role 19894
        pharmacological role 19107
          antagonist 17163
            calcium channel blocker 7136
              nemadipine-A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19867
                    p-block element atom 19867
                      chalcogen 19616
                        oxygen atom 19589
                          oxygen molecular entity 19589
                            hydroxides 19384
                              organic hydroxy compound 18997
                                alcohol 15391
                                  primary alcohol 14227
                                    ethanols 8472
                                      ethanol 8471
                                        ethyl ester 3591
                                          nemadipine-A 0
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