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ONTOLOGY REPORT - ANNOTATIONS


Term:tandospirone
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Accession:CHEBI:145673 term browser browse the term
Definition:A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM).
Synonyms:exact_synonym: (3aR,4S,7R,7aS)-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
 related_synonym: Formula=C21H29N5O2;   InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-;   InChIKey=CEIJFEGBUDEYSX-FZDBZEDMSA-N;   SM-3997;   SMILES=[C@]12([C@@]([C@@]3(C[C@]1(CC3)[H])[H])(C(N(C2=O)CCCCN4CCN(CC4)C5=NC=CC=N5)=O)[H])[H];   tandospirona;   tandospironum
 xref: CAS:87760-53-0;   DrugBank:DB12833;   Drug_Central:2563;   KEGG:D08561;   PMID:18062405;   PMID:1970610;   PMID:1971265;   PMID:1974152;   PMID:1981263;   PMID:20676611;   PMID:24207070;   PMID:25170231;   PMID:2572002;   PMID:25804359;   PMID:25879718;   PMID:26027828;   PMID:2895201;   PMID:2897609;   PMID:2898033;   PMID:29254282;   PMID:29433063;   PMID:30204599;   PMID:30628997;   PMID:30822365;   PMID:31509356;   PMID:31643024;   Wikipedia:Tandospirone
 cyclic_relationship: is_conjugate_base_of CHEBI:145674


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  CHEBI ontology 19758
    role 19705
      application 19359
        pharmaceutical 19228
          drug 19228
            central nervous system drug 16430
              psychotropic drug 15066
                antidepressant 3070
                  tandospirone 0
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  CHEBI ontology 19758
    subatomic particle 19756
      composite particle 19756
        hadron 19756
          baryon 19756
            nucleon 19756
              atomic nucleus 19756
                atom 19756
                  main group element atom 19641
                    main group molecular entity 19641
                      s-block molecular entity 19403
                        hydrogen molecular entity 19392
                          hydrides 18362
                            inorganic hydride 17222
                              pnictogen hydride 17186
                                nitrogen hydride 17020
                                  azane 16711
                                    ammonia 16709
                                      organic amino compound 16708
                                        tertiary amino compound 8610
                                          N-alkylpiperazine 3049
                                            tandospirone 0
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