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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:lifitegrast
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Accession:CHEBI:133023 term browser browse the term
Definition:An N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome).
Synonyms:exact_synonym: N-[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl]-3-(methanesulfonyl)-L-phenylalanine
 related_synonym: Formula=C29H24Cl2N2O7S;   InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1;   InChIKey=JFOZKMSJYSPYLN-QHCPKHFHSA-N;   SAR-1118;   SAR1118;   SMILES=C12=C(C=C(C=C1)C(N3CC=4C(CC3)=C(C(=C(C4)Cl)C(N[C@@H](CC5=CC=CC(=C5)S(C)(=O)=O)C(=O)O)=O)Cl)=O)OC=C2;   Xiidra
 xref: CAS:1025967-78-5;   Drug_Central:5174;   KEGG:D10374;   PMID:20334535;   PMID:20445119;   PMID:21330663;   PMID:22330307;   PMID:22538219;   PMID:23215542;   PMID:23256487;   PMID:24289915;   PMID:24900456;   PMID:26365210;   PMID:26807723;   PMID:27055211;   PMID:27354762;   PMID:27388660;   Reaxys:19179816;   Wikipedia:Lifitegrast


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        anti-inflammatory agent 14965
          anti-inflammatory drug 13624
            lifitegrast 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            organic hydride 18269
                              organic fundamental parent 18269
                                hydrocarbon 17988
                                  cyclic hydrocarbon 17075
                                    monocyclic hydrocarbon 5768
                                      annulene 5594
                                        aromatic annulene 5594
                                          benzene 5594
                                            alkylbenzene 3345
                                              methylbenzene 3207
                                                toluene 3070
                                                  benzyl group 2480
                                                    phenylalanine 2480
                                                      L-phenylalanine 2227
                                                        L-phenylalanine derivative 2216
                                                          lifitegrast 0
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