lurasidone   Click here for help

GtoPdb Ligand ID: 7461

Synonyms: Latuda® | SM-13496
Approved drug
lurasidone is an approved drug (FDA (2010), EMA (2014))
Compound class: Synthetic organic
Comment: Lurasidone is an atypical antipsychotic with activity at serotonin family receptors that are involved in learning and memory. It is devoid of the anticholinergic effects which are common with most other antipsychotics.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 84.99
Molecular weight 492.26
XLogP 5.2
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C1N(CC2CCCCC2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1C1CCC2C1
Isomeric SMILES O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[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
InChI Key PQXKDMSYBGKCJA-CVTJIBDQSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2010), EMA (2014))
International Nonproprietary Names Click here for help
INN number INN
8247 lurasidone
Synonyms Click here for help
Latuda® | SM-13496
Database Links Click here for help
CAS Registry No. 367514-87-2
ChEBI CHEBI:70735
ChEMBL Ligand CHEMBL1237021
DrugBank Ligand DB08815
DrugCentral Ligand 4168
GtoPdb PubChem SID 187051764
PubChem CID 213046
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Wikipedia Lurasidone