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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:AZD1080
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Accession:CHEBI:167651 term browser browse the term
Definition:A member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued).
Synonyms:exact_synonym: 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
 related_synonym: 2-hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile;   AZ-11548415;   AZD-1080;   Formula=C19H18N4O2;   InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2;   InChIKey=BLTVBQXJFVRPFK-UHFFFAOYSA-N;   SMILES=OC1=C(C2=C(N1)C=CC(=C2)C#N)C1=NC=C(CN2CCOCC2)C=C1
 xref: CAS:612487-72-6;   Chemspider:24808514;   PMID:23410232;   PMID:27050373;   PMID:27051274;   PMID:32184604;   PMID:33422940


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Term Annotations click to browse term
  CHEBI ontology 19900
    role 19875
      biological role 19873
        inhibitor 18923
          tau aggregation inhibitor 3
            AZD1080 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19900
    subatomic particle 19898
      composite particle 19898
        hadron 19898
          baryon 19898
            nucleon 19898
              atomic nucleus 19898
                atom 19898
                  main group element atom 19845
                    p-block element atom 19845
                      carbon group element atom 19792
                        carbon atom 19787
                          organic molecular entity 19787
                            organic molecule 19744
                              organic cyclic compound 19549
                                organic heterocyclic compound 18888
                                  organic heteropolycyclic compound 18315
                                    organic heterobicyclic compound 17262
                                      benzopyrrole 9731
                                        indoles 9419
                                          hydroxyindoles 172
                                            AZD1080 0
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