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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


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 19890
    role 19839
      biological role 19858
        pharmacological role 19090
          antagonist 17254
            dopaminergic antagonist 1641
              lurasidone hydrochloride 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      halogen 18693
                        chlorine atom 18454
                          chlorine molecular entity 18480
                            elemental chlorine 8794
                              monoatomic chlorine 8761
                                chloride 8761
                                  chloride salt 8779
                                    organic chloride salt 1104
                                      hydrochloride 735
                                        lurasidone hydrochloride 3
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