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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 26034
    role 25961
      application 25172
        pro-agent 12044
          prodrug 11725
            CGP 78608 hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      halogen 21140
                        chlorine atom 20244
                          chlorine molecular entity 20262
                            elemental chlorine 8461
                              monoatomic chlorine 8444
                                chloride 8444
                                  chloride salt 8451
                                    organic chloride salt 1126
                                      hydrochloride 747
                                        CGP 78608 hydrochloride 0
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