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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


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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 8:49,708,903...49,772,888
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 2:36,694,174...36,695,442
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 19821
    chemical entity 19821
      molecular entity 19819
        ion 16059
          organic ion 9147
            organic cation 8091
              lurasidone(1+) 3
                lurasidone hydrochloride 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    main group molecular entity 19716
                      p-block molecular entity 19716
                        carbon group molecular entity 19640
                          organic molecular entity 19630
                            organic ion 9147
                              organic cation 8091
                                lurasidone(1+) 3
                                  lurasidone hydrochloride 3
paths to the root