LURASIDONE

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Synonyms
Status
Molecule Category Free-form
ATC N05AE05
UNII 22IC88528T

Structure

InChI Key PQXKDMSYBGKCJA-CVTJIBDQSA-N
Smiles 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/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H36N4O2S
Molecular Weight 492.69
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 1.68-1.7 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 15.72 - 0.5-6.75 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 15.72 - 0.5-6.7 -
Rattus norvegicus
- - - 1.68-6.75 -

Cross References

Resources Reference
ChEBI 70735
ChEMBL CHEMBL1237021
DrugBank DB08815
DrugCentral 4168
FDA SRS 22IC88528T
Guide to Pharmacology 7461
PharmGKB PA166129557
PubChem 213046
SureChEMBL SCHEMBL677525
ZINC ZINC000003927822
CONTENTS