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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 hydrochloride
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Accession:CHEBI:64065 term browser browse the term
Definition:A hydrochloride that is the monohydrochloride salt of CGP 78608. 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)-N-[(7-bromo-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]-1-phosphonoethanaminium chloride;   [(1S)-1-{[(7-bromo-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]amino}ethyl]phosphonic acid hydrochloride
 related_synonym: Formula=C11H14BrClN3O5P;   InChI=1S/C11H13BrN3O5P.ClH/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);1H/t5-;/m0./s1;   InChIKey=MZQQZBPMRPDKTB-JEDNCBNOSA-N;   SMILES=Cl.C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
 cyclic_relationship: is_conjugate_base_of CHEBI:64066



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Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      application 19677
        pro-agent 11550
          prodrug 11311
            CGP 78608 hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      halogen 18687
                        chlorine atom 18475
                          chlorine molecular entity 18475
                            elemental chlorine 8794
                              monoatomic chlorine 8779
                                chloride 8779
                                  chloride salt 8779
                                    organic chloride salt 1102
                                      hydrochloride 730
                                        CGP 78608 hydrochloride 0
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