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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:lurasidone(1+)
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Accession:CHEBI:70734 term browser browse the term
Definition:An organic cation that is the conjugate acid of lurasidone.
Synonyms:exact_synonym: 4-(1,2-benzothiazol-3-yl)-1-{[(1R,2R)-2-{[(3aR,4S,7R,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]methyl}cyclohexyl]methyl}piperazin-1-ium
 related_synonym: Formula=C28H37N4O2S;   InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/p+1/t18-,19+,20-,21-,24+,25-/m0/s1;   InChIKey=PQXKDMSYBGKCJA-CVTJIBDQSA-O;   SMILES=[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1C[NH+]1CCN(CC1)c1nsc3ccccc13)C2=O;   lurasidone cation
 cyclic_relationship: is_conjugate_acid_of CHEBI:70735


show annotations for term's descendants           Sort by:
lurasidone hydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd2 dopamine receptor D2 multiple interactions ISO Lurasidone Hydrochloride binds to and results in decreased activity of DRD2 protein CTD PMID:20404009 NCBI chr 8:49,708,927...49,772,876
Ensembl chr 8:49,708,927...49,772,875 		JBrowse link
G Htr1a 5-hydroxytryptamine receptor 1A multiple interactions ISO Lurasidone Hydrochloride binds to and results in increased activity of HTR1A protein CTD PMID:20404009 NCBI chr 2:36,693,462...36,698,026
Ensembl chr 2:36,694,174...36,695,442 		JBrowse link
G Htr7 5-hydroxytryptamine receptor 7 multiple interactions ISO Lurasidone Hydrochloride binds to and results in decreased activity of HTR7 protein CTD PMID:20404009 NCBI chr 1:233,636,442...233,761,063
Ensembl chr 1:233,636,452...233,760,626 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    chemical entity 19806
      molecular entity 19806
        ion 16690
          organic ion 9858
            organic cation 8908
              lurasidone(1+) 3
                lurasidone hydrochloride 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      p-block molecular entity 19756
                        carbon group molecular entity 19705
                          organic molecular entity 19702
                            organic ion 9858
                              organic cation 8908
                                lurasidone(1+) 3
                                  lurasidone hydrochloride 3
paths to the root