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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



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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 3:46,962,243...47,043,870
Ensembl chr 3:46,962,243...47,043,901
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    chemical entity 20088
      group 19990
        pseudohalo group 3909
          cyano group 3905
            nitrile 3909
              alogliptin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    main group molecular entity 19960
                      s-block molecular entity 19784
                        hydrogen molecular entity 19777
                          hydrides 19115
                            inorganic hydride 17901
                              pnictogen hydride 17884
                                nitrogen hydride 17773
                                  azane 17503
                                    ammonia 17521
                                      organic amino compound 17521
                                        primary amino compound 8282
                                          alogliptin 1
paths to the root