CHEBI:70735 - lurasidone

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ChEBI Name lurasidone
ChEBI ID CHEBI:70735
Definition An N-arylpiperazine that is (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-(piperazin-1-ylmethyl)cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione in which position N4 of the piperazine ring is substituted by a 1,2-benzothiazol-3-yl group. Lurasidone is used (generally as the hydrochloride salt) as an atypical antipsychotic for the treatment of schizophrenia.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H36N4O2S
Net Charge 0
Average Mass 492.67600
Monoisotopic Mass 492.256
InChI 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/t18-,19+,20-,21-,24+,25-/m0/s1
InChIKey PQXKDMSYBGKCJA-CVTJIBDQSA-N
SMILES [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
Roles Classification
Biological Role(s): adrenergic antagonist
An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists.
dopaminergic antagonist
A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Application(s): adrenergic antagonist
An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists.
dopaminergic antagonist
A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
second generation antipsychotic
Antipsychotic drugs which can have different modes of action but which tend to be less likely than first generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements.
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ChEBI Ontology
Outgoing lurasidone (CHEBI:70735) has functional parent maleimide (CHEBI:16072)
lurasidone (CHEBI:70735) has role adrenergic antagonist (CHEBI:37887)
lurasidone (CHEBI:70735) has role dopaminergic antagonist (CHEBI:48561)
lurasidone (CHEBI:70735) has role second generation antipsychotic (CHEBI:65191)
lurasidone (CHEBI:70735) has role serotonergic antagonist (CHEBI:48279)
lurasidone (CHEBI:70735) is a 1,2-benzisothiazole (CHEBI:55505)
lurasidone (CHEBI:70735) is a N-arylpiperazine (CHEBI:46848)
lurasidone (CHEBI:70735) is a bridged compound (CHEBI:35990)
lurasidone (CHEBI:70735) is a dicarboximide (CHEBI:35356)
lurasidone (CHEBI:70735) is conjugate base of lurasidone(1+) (CHEBI:70734)
Incoming lurasidone(1+) (CHEBI:70734) is conjugate acid of lurasidone (CHEBI:70735)
IUPAC Name
(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
INNs Sources
lurasidona WHO MedNet
lurasidone WHO MedNet
lurasidone WHO MedNet
lurasidonum WHO MedNet
Database Links Databases
4168 DrugCentral
EP1637530 Patent
EP1652848 Patent
Lurasidone Wikipedia
US2011263847 Patent
US2011263848 Patent
US2012115879 Patent
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Registry Numbers Types Sources
11182976 Reaxys Registry Number Reaxys
367514-87-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017