LURASIDONE

Search structure
Synonyms:
Status: Approved (2010)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05AE05
UNII: 22IC88528T

Structure
InChI Key PQXKDMSYBGKCJA-CVTJIBDQSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 56.75
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Primary Target
5-HT7 receptor
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
- - - 2 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psychotic Disorders 4 D011618 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Autistic Disorder 3 D001321 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 367514-87-2
ChEBI 70735
ChEMBL CHEMBL1237021
DrugBank DB08815
DrugCentral 4168
FDA SRS 22IC88528T
Guide to Pharmacology 7461
PharmGKB PA166129557
PubChem 213046
SureChEMBL SCHEMBL677525
ZINC ZINC000003927822
CONTENTS