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+)
Accession: CHEBI:70734
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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
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
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
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
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