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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 3:48,291,055...48,372,672
Ensembl chr 3:48,291,055...48,372,672
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    chemical entity 19773
      group 19692
        pseudohalo group 3024
          cyano group 3024
            nitrile 3024
              alogliptin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    main group molecular entity 19662
                      s-block molecular entity 19426
                        hydrogen molecular entity 19420
                          hydrides 18753
                            inorganic hydride 17457
                              pnictogen hydride 17433
                                nitrogen hydride 17280
                                  azane 17015
                                    ammonia 17014
                                      organic amino compound 17013
                                        primary amino compound 7950
                                          alogliptin 1
paths to the root