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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 21260
    role 21244
      application 20683
        pharmaceutical 20065
          drug 20065
            central nervous system drug 17033
              psychotropic drug 15403
                antidepressant 3034
                  tandospirone 0
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  CHEBI ontology 21260
    subatomic particle 21256
      composite particle 21256
        hadron 21256
          baryon 21256
            nucleon 21256
              atomic nucleus 21256
                atom 21256
                  main group element atom 21125
                    main group molecular entity 21125
                      s-block molecular entity 20599
                        hydrogen molecular entity 20511
                          hydrides 19483
                            inorganic hydride 17592
                              pnictogen hydride 17543
                                nitrogen hydride 17359
                                  azane 17228
                                    ammonia 17227
                                      organic amino compound 17226
                                        tertiary amino compound 8709
                                          N-alkylpiperazine 3049
                                            tandospirone 0
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