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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:lefradafiban
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Accession:CHEBI:60634 term browser browse the term
Definition:A member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which the 3-pro-S-hydrogen is substituted by a 2-methoxy-2-oxoethyl group, while the 5-pro-S-hydrogen is substituted by a ({4'-[N-(methoxycarbonyl)carbamimidoyl]biphenyl-4-yl}oxy)methyl group. It is an orally active prodrug of fradafiban, a figrinogen receptor antagonist.
Synonyms:exact_synonym: methyl {(3S,5S)-5-[({4'-[N-(methoxycarbonyl)carbamimidoyl]([1,1'-biphenyl]-4-yl)}oxy)methyl]-2-oxopyrrolidin-3-yl}acetate;   methyl {(3S,5S)-5-[({4'-[N-(methoxycarbonyl)carbamimidoyl]biphenyl-4-yl}oxy)methyl]-2-oxopyrrolidin-3-yl}acetate
 related_synonym: (3S,5S)-5-[(4'-methoxycarbonylamidino-4-biphenylyl)-oxymethyl]-3-[(methoxycarbonyl)methyl]-2-pyrrolidinone;   3-pyrrolidineacetic acid, 5-[[[4'-[imino[(methoxycarbonyl) amino]methyl] [1,1'-biphenyl]-4-yl]oxy]methyl]-2-oxo-,methyl ester, (3S-trans);   FP-007SE;   Formula=C23H25N3O6;   InChI=1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1;   InChIKey=PGCFXITVMNNKON-ROUUACIJSA-N;   SMILES=COC(=O)C[C@@H]1C[C@@H](COc2ccc(cc2)-c2ccc(cc2)C(=N)NC(=O)OC)NC1=O;   lefradafibanum
 alt_id: CHEBI:60715
 xref: CAS:149503-79-7;   PMID:10566070;   PMID:10886122;   PMID:11102255;   PMID:11250974;   PMID:21081137;   PMID:9286940;   Reaxys:14535302


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  CHEBI ontology 19765
    role 19738
      application 19572
        pro-agent 10141
          prodrug 9944
            lefradafiban 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19765
    subatomic particle 19763
      composite particle 19763
        hadron 19763
          baryon 19763
            nucleon 19763
              atomic nucleus 19763
                atom 19763
                  main group element atom 19712
                    p-block element atom 19712
                      carbon group element atom 19658
                        carbon atom 19654
                          organic molecular entity 19654
                            organic group 18856
                              organic divalent group 18842
                                organodiyl group 18842
                                  carbonyl group 18807
                                    carbonyl compound 18807
                                      carboxylic acid 18523
                                        carboacyl group 17654
                                          univalent carboacyl group 17654
                                            carbamoyl group 17496
                                              carboxamide 17496
                                                lactam 8351
                                                  gamma-lactam 6618
                                                    pyrrolidin-2-ones 145
                                                      fradafiban 0
                                                        lefradafiban 0
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