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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 hydrochloride
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Accession:CHEBI:70732 term browser browse the term
Definition:A hydrochloride obtained by reaction of lurasidone with one equivalent of hydrochloric acid. An atypical antipsychotic agent used for the treatment of schizophrenia.
Synonyms:exact_synonym: (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione hydrochloride
 related_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 chloride;   Formula=C28H37ClN4O2S;   InChI=1S/C28H36N4O2S.ClH/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;1H/t18-,19+,20-,21-,24+,25-;/m0./s1;   InChIKey=NEKCRUIRPWNMLK-SCIYSFAVSA-N;   Latuda;   Lurasidone HCl;   SM 13496;   SMILES=Cl.[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc3ccccc13)C2=O;   lurasidone monohydrochloride
 xref: CAS:367514-88-3;   KEGG:D04820
 xref_mesh: MESH:D000069056
 xref: PMID:21372761;   PMID:21446639;   PMID:21555300;   PMID:21935296;   PMID:22072817;   PMID:22545643;   PMID:22778856;   PMID:22828971;   Patent:EP1652848;   Reaxys:14540570;   Wikipedia:Lurasidone_hydrochloride


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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 8:53,678,777...53,743,643
Ensembl chr 8:53,678,777...53,743,642
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 2:36,246,628...36,247,896
Ensembl chr 2:36,246,628...36,247,896
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 1:254,547,964...254,671,811
Ensembl chr 1:254,547,620...254,671,778
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19841
      molecular entity 19839
        ion 15943
          organic ion 8402
            organic cation 7250
              lurasidone(1+) 3
                lurasidone hydrochloride 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      halogen 18140
                        chlorine atom 17956
                          chlorine molecular entity 17956
                            elemental chlorine 8425
                              monoatomic chlorine 8408
                                chloride 8408
                                  chloride salt 8408
                                    organic chloride salt 884
                                      hydrochloride 673
                                        lurasidone hydrochloride 3
paths to the root