LURASIDONE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII O0P4I5851I
Parent Compound: LURASIDONE

Structure

InChI Key NEKCRUIRPWNMLK-SCIYSFAVSA-N
Smiles Cl.O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H37ClN4O2S
Molecular Weight 529.15
AlogP 4.26
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 56.75
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST DailyMed

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468

Cross References

Resources Reference
ChEBI 70732
ChEMBL CHEMBL1615372
FDA SRS O0P4I5851I
PubChem 11237860
SureChEMBL SCHEMBL1534132
ZINC ZINC33974796
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