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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:crisaborole
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Accession:CHEBI:134677 term browser browse the term
Definition:A member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults.
Synonyms:exact_synonym: 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile
 related_synonym: AN 2728;   AN2728;   Crisaborole topical ointment 2%;   Eucrisa;   Formula=C14H10BNO3;   InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2;   InChIKey=USZAGAREISWJDP-UHFFFAOYSA-N;   SMILES=C1=C(C=C2C(=C1)B(OC2)O)OC3=CC=C(C=C3)C#N
 xref: CAS:906673-24-3;   KEGG:D10873;   PMID:19303290;   PMID:19876791;   PMID:20094643;   PMID:20383346;   PMID:23625818;   PMID:24852768;   PMID:26461821;   PMID:26659931;   PMID:26777394;   PMID:26885784;   PMID:27050693;   PMID:27193740;   PMID:27283509;   PMID:27335049;   PMID:27353073;   PMID:27417017;   PMID:27525671;   PMID:27928191;   PMID:28163553;   Reaxys:11622826


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    chemical entity 19919
      group 19877
        pseudohalo group 4582
          cyano group 4582
            nitrile 4582
              crisaborole 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 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            organic molecule 19754
                              organic cyclic compound 19544
                                organic heterocyclic compound 18909
                                  organic heteropolycyclic compound 18316
                                    organic heterobicyclic compound 17252
                                      benzoxaborole 0
                                        crisaborole 0
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