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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:alogliptin
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Accession:CHEBI:72323 term browser browse the term
Definition:A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes.
Synonyms:exact_synonym: 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile
 related_synonym: Formula=C18H21N5O2;   InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1;   InChIKey=ZSBOMTDTBDDKMP-OAHLLOKOSA-N;   SMILES=Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O;   alogliptina;   alogliptine;   alogliptinum
 xref: CAS:850649-61-5;   Drug_Central:4340
 xref_mesh: MESH:C520853
 xref: PMID:20040339;   PMID:21205126;   PMID:21397040;   PMID:21431099;   PMID:21558879;   PMID:21595274;   PMID:21595275;   PMID:21682833;   PMID:21733058;   PMID:21806314;   PMID:22106975;   PMID:22162539;   PMID:22237690;   PMID:22249941;   PMID:22296609;   PMID:22419732;   PMID:22429011;   PMID:22512582;   PMID:22583697;   PMID:22651127;   PMID:22832924;   PMID:23220949;   PMID:23289982;   PMID:23298374;   Patent:EP1970063;   Patent:US2007066635;   Patent:US2009275750;   Patent:WO2008028914;   Patent:WO2009022009;   Patent:WO2010072680;   Reaxys:10587993;   Wikipedia:Alogliptin
 cyclic_relationship: is_conjugate_base_of CHEBI:72326


show annotations for term's descendants           Sort by:
alogliptin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Dpp4 dipeptidylpeptidase 4 decreases activity
affects binding		 EXP
ISO		 alogliptin results in decreased activity of DPP4 protein
alogliptin binds to DPP4 protein		 CTD PMID:22125632 PMID:24687332 NCBI chr 3:46,962,233...47,043,870
Ensembl chr 3:46,962,243...47,043,901 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    chemical entity 19806
      group 19765
        pseudohalo group 4566
          cyano group 4566
            nitrile 4566
              alogliptin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      s-block molecular entity 19595
                        hydrogen molecular entity 19582
                          hydrides 19095
                            inorganic hydride 18093
                              pnictogen hydride 18082
                                nitrogen hydride 17989
                                  azane 17798
                                    ammonia 17797
                                      organic amino compound 17797
                                        primary amino compound 9301
                                          alogliptin 1
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