LURASIDONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O2S
Molecular Weight	492.676
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LURASIDONE

Structure Search

SMILES

[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]4CCCC[C@H]4CN5CCN(CC5)C6=NSC7=C6C=CC=C7)C2=O

InChI

InChIKey=PQXKDMSYBGKCJA-CVTJIBDQSA-N

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

HIDE SMILES / InChI

Molecular Formula	C28H36N4O2S
Molecular Weight	492.676
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:41:11 UTC 2023` Edited by `admin` on `Fri Dec 15 15:41:11 UTC 2023`
Record UNII	22IC88528T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LURASIDONE

Official Name

English

LURASIDONE [VANDF]

Common Name

English

LURASIDONE [MI]

Common Name

English

LATUDA

Brand Name

English

lurasidone [INN]

Common Name

English

Lurasidone [WHO-DD]

Common Name

English

Classification Tree Code System Code

LIVERTOX

NBK548303

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

NCI_THESAURUS

C66885

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

WHO-ATC

N05AE05

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

WHO-VATC

QN05AE05

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

EMA ASSESSMENT REPORTS

LATUDA (AUTHORIZED: SCHIZOPHRENIA)

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

NDF-RT

N0000175430

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

NCI_THESAURUS

C66883

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

Code System Code Type Description

RXCUI

1040028

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

RxNorm

CHEBI

70732

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

DAILYMED

22IC88528T

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

LACTMED

Lurasidone

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL1237021

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

PUBCHEM

213046

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

IUPHAR

7461

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

EVMPD

SUB32185

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

NCI_THESAURUS

C77575

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

WIKIPEDIA

Lurasidone

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

CHEBI

70735

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

SMS_ID

100000124359

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

DRUG BANK

DB08815

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

CAS

367514-87-2

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

INN

8247

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

FDA UNII

22IC88528T

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

DRUG CENTRAL

4168

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

MESH

C525644

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID40870340

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

MERCK INDEX

m6943

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

Merck Index

HSDB

8228

Created by admin on Fri Dec 15 15:41:11 UTC 2023 , Edited by admin on Fri Dec 15 15:41:11 UTC 2023

PRIMARY

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LURASIDONE HYDROCHLORIDE

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5-HYDROXYTRYPTAMINE RECEPTOR 2A

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EXCRETED UNCHANGED

Comments:

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Qualification:

FECAL; URINE

Amount:


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ALPHA-2A ADRENERGIC RECEPTOR

TARGET -> AGONIST

Interaction Type:

SHORT-ACTING

Amount:


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5-HYDROXYTRYPTAMINE RECEPTOR 7

TARGET -> INHIBITOR

Comments:

Cell:SF9; ligand:3H-5-ct

Interaction Type:

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Qualification:

Ki

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR

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MODERATE


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CYTOCHROME P450 2C8

METABOLIC ENZYME -> INHIBITOR

Interaction Type:

MODERATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

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Amount:


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MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> NON-SUBSTRATE


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Interaction Type:

MODERATE


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CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

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D(2) DOPAMINE RECEPTOR

TARGET -> INHIBITOR

Comments:

cell:CHO K1; ligand:3H-spiperone

Qualification:

Ki

Amount:

Related Record Type Details


					6UZ3937LJP

(1R,2R)-2-(((3AR,4R,7S,7AS,8S)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID

METABOLITE -> PARENT

Amount:


					UKE5P56E4F

(2S,3S,4S,5R,6S)-6-(((1R,2R)-2-(((3AR,4S,7R,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT


					ZRT8JM785G

(1R,2R)-2-(((3AR,4R,7S,7AS,8R)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR


					59D8RAT1F9

3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE

METABOLITE -> PARENT


					RT9G375JW3

(2S,3S,4S,5R)-3,4,5-TRIHYDROXY-6-(((1R,2R)-2-(((3AR,4R,7S,7AS)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT


					5Z4T08JI5F

ID-14326

METABOLITE ACTIVE -> PARENT

Amount:


					BI217QK2ET

ID-20222

METABOLITE -> PARENT


					QX95ZN7H2D

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(((1R,2R)-2-((4-(1-OXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, (3AR,4S,7R,7AS)-

METABOLITE -> PARENT


					QTG3YT8MBY

ID-14283

METABOLITE ACTIVE -> PARENT

Amount:


					GS4J4W9MA0

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-8-HYDROXY-2-(((1R,2R)-2-((4-(IMINO(2-(METHYLTHIO)PHENYL)METHYL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, STEREOISOMER

METABOLITE -> PARENT

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IMPURITY -> PARENT

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					22IC88528T

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				single dose administration

Biological Half-life	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC				single dose administration

Tmax	PHARMACOKINETIC				multiple dose administration

Volume of Distribution	PHARMACOKINETIC				single dose administration