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CHEBI:70735 - lurasidone
| Formula | C28H36N4O2S |
| Net Charge | 0 |
| Average Mass | 492.689 |
| Monoisotopic Mass | 492.25590 |
| SMILES | [H][C@@]12C(=O)N(C[C@@H]3CCCC[C@H]3CN3CCN(c4nsc5ccccc45)CC3)C(=O)[C@]1([H])[C@H]1CC[C@@H]2C1 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. adrenergic antagonist An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. |
| Applications: | 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. dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. adrenergic antagonist An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 N-arylpiperazine (CHEBI:46848) |
| lurasidone (CHEBI:70735) is a 1,2-benzisothiazole (CHEBI:55505) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| lurasidonum | WHO MedNet |
| lurasidone | WHO MedNet |
| lurasidone | WHO MedNet |
| lurasidona | WHO MedNet |
| Manual Xrefs | Databases |
|---|---|
| US2011263848 | Patent |
| US2011263847 | Patent |
| EP1637530 | Patent |
| EP1652848 | Patent |
| US2012115879 | Patent |
| Lurasidone | Wikipedia |
| 4168 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11182976 | Reaxys |
| CAS:367514-87-2 | ChemIDplus |
| Citations |
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