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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 8:49,708,903...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 19795
    chemical entity 19795
      molecular entity 19794
        ion 16248
          organic ion 9164
            organic cation 8097
              lurasidone(1+) 3
                lurasidone hydrochloride 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    p-block element atom 19693
                      halogen 18181
                        chlorine atom 18025
                          chlorine molecular entity 18025
                            elemental chlorine 8462
                              monoatomic chlorine 8446
                                chloride 8446
                                  chloride salt 8446
                                    organic chloride salt 918
                                      hydrochloride 686
                                        lurasidone hydrochloride 3
paths to the root