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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:Ro 25-6981
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Accession:CHEBI:92897 term browser browse the term
Definition:A member of the class of piperidines that is 4-benzylpiperidine substituted by a 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl group at position 1 (the 1R,2S-stereoisomer). It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor.
Synonyms:exact_synonym: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
 related_synonym: (alphaR,betaS)-alpha-(4-Hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidinepropanol;   4-[(1R,2S)-1-hydroxy-2-methyl-3-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol;   Formula=C22H29NO2;   InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1;   InChIKey=WVZSEUPGUDIELE-HTAPYJJXSA-N;   Ro 25-6981 free base;   Ro25-6981;   SMILES=C[C@@H](CN1CCC(CC2=CC=CC=C2)CC1)[C@@H](O)C1=CC=C(O)C=C1
 xref: CAS:169274-78-6;   Chemspider:5037146;   LINCS:LSM-3140
 xref_mesh: MESH:C109643
 xref: PDBeChem:QEM;   PMID:11290368;   PMID:12498913;   PMID:14534359;   PMID:15081591;   PMID:15256539;   PMID:17970830;   PMID:18809426;   PMID:21598675;   PMID:21677647;   PMID:23113280;   PMID:24076088;   PMID:24893066;   PMID:25008524;   PMID:25446739;   PMID:27062927;   PMID:27456026;   PMID:27871866;   PMID:28802646;   PMID:29777135;   PMID:29790100;   PMID:29800545;   PMID:29862605;   PMID:32640759;   PMID:32925228;   PMID:34363521;   PMID:34453973;   PMID:34575558;   PMID:9400004;   PMID:9572302
 cyclic_relationship: is_conjugate_base_of CHEBI:183314


show annotations for term's descendants           Sort by:
Ro 25-6981 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Grin2b glutamate ionotropic receptor NMDA type subunit 2B decreases activity EXP Ro 25-6981 results in decreased activity of GRIN2B protein CTD PMID:29982505 NCBI chr 4:168,580,824...169,044,110
Ensembl chr 4:168,599,546...169,042,279 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      application 19658
        NMR chemical shift reference compound 17961
          ammonia 17820
            organic amino compound 17820
              tertiary amino compound 10141
                Ro 25-6981 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    main group molecular entity 19786
                      s-block molecular entity 19624
                        hydrogen molecular entity 19611
                          hydrides 19117
                            inorganic hydride 18115
                              pnictogen hydride 18104
                                nitrogen hydride 18011
                                  azane 17821
                                    ammonia 17820
                                      organic amino compound 17820
                                        tertiary amino compound 10141
                                          Ro 25-6981 1
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