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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:CGP 78608
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Accession:CHEBI:64061 term browser browse the term
Definition:A phosphonic acid in which the hydrogen attached to phosphorous is substituted by a 1-{[(7-bromo-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]amino}ethyl group. Potent and selective NMDA antagonist that acts through the glycine site (IC50 = 5 nM). Displays >500-fold selectivity over kainate and AMPA receptors (IC50 values are 2.7 and 3 muM respectively). Anticonvulsant in vivo following systemic administration.
Synonyms:exact_synonym: [(1S)-1-{[(7-bromo-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]amino}ethyl]phosphonic acid
 related_synonym: Formula=C11H13BrN3O5P;   InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1;   InChIKey=DPFHVUSPVHRVFL-YFKPBYRVSA-N;   SMILES=C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
 xref: PMID:15223384;   PMID:17405869;   PMID:19394327;   Patent:US6117873;   Reaxys:8227979



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  CHEBI ontology 19800
    role 19751
      application 19498
        refrigerant 17688
          ammonia 17277
            organic amino compound 17277
              secondary amino compound 6633
                CGP 78608 0
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  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  organic heteropolycyclic compound 18043
                                    organic heterobicyclic compound 16859
                                      mancude organic heterobicyclic parent 5418
                                        naphthyridine 802
                                          quinoxaline 389
                                            quinoxaline derivative 389
                                              CGP 78608 0
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