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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 19811
    role 19818
      application 19630
        pro-agent 11523
          prodrug 11284
            CGP 78608 hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      halogen 18659
                        chlorine atom 18434
                          chlorine molecular entity 18463
                            elemental chlorine 8516
                              monoatomic chlorine 8501
                                chloride 8501
                                  chloride salt 8510
                                    organic chloride salt 1083
                                      hydrochloride 721
                                        CGP 78608 hydrochloride 0
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