LUMATEPERONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H28FN3O
Molecular Weight	393.497
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LUMATEPERONE

Structure Search

SMILES

[H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C4=CC=CC5=C4N2CCN5C

InChI

InChIKey=HOIIHACBCFLJET-SFTDATJTSA-N

InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H28FN3O
Molecular Weight	393.497
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:38:56 UTC 2023` Edited by `admin` on `Sat Dec 16 10:38:56 UTC 2023`
Record UNII	70BSQ12069
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUMATEPERONE

Official Name

English

lumateperone [INN]

Common Name

English

Lumateperone [WHO-DD]

Common Name

English

1-BUTANONE, 1-(4-FLUOROPHENYL)-4-((6BR,10AS)-2,3,6B,9,10,10A-HEXAHYDRO-3-METHYL-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALIN-8(7H)-YL)-

Systematic Name

English

LUMATEPERONE [USAN]

Common Name

English

ITI-722

Code

English

ITI-007

Code

English

LUMATEPERONE [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID401026211

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

USAN

DE-107

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545045

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

CAS

313368-91-1

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

DRUG CENTRAL

5358

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

MERCK INDEX

m12238

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

INN

10156

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

DRUG BANK

DB06077

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

RXCUI

2275602

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

NCI_THESAURUS

C166975

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

WIKIPEDIA

LUMATEPERONE

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

FDA UNII

70BSQ12069

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

SMS_ID

300000025855

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

DAILYMED

70BSQ12069

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

PUBCHEM

21302490

Created by admin on Sat Dec 16 10:38:57 UTC 2023 , Edited by admin on Sat Dec 16 10:38:57 UTC 2023

PRIMARY

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Qualification:

URINE

Amount:


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URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE


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PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Protein binding of lumateperone is 97.4% at 5 μM (about 70-fold higher than therapeutic concentrations) in human plasma.

Interaction Type:

BINDING

Amount:


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5-HYDROXYTRYPTAMINE RECEPTOR 2A

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					L0423Z5LDW

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CYTOCHROME P450 3A4

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					19GBD6T9L7

D(2) DOPAMINE RECEPTOR

TARGET->ANTAGONIST

Interaction Type:

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Qualification:

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Amount:


					JIE88N006O

LUMATEPERONE TOSYLATE

SALT/SOLVATE -> PARENT

Amount:


					54202V7DRJ

D(1A) DOPAMINE RECEPTOR

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METABOLIC ENZYME -> SUBSTRATE

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					9D6JH25VRL

(6BR,10AS)-.ALPHA.-(4-FLUOROPHENYL)-2,3,6B,9,10,10A-HEXAHYDRO-3-METHYL-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALINE-8(7H)-BUTANOL

METABOLITE -> PARENT


					ZYS4G8YJA8

(6BR,10AS)-8-(4-(4-FLUOROPHENYL)-4-HYDROXYBUTYL)-6B,7,8,9,10,10A-HEXAHYDRO-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE

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					KDT972M5ZY

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METABOLITE -> PARENT


					35KWZ8776F

(6BR,10AS)-8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-6B,7,8,9,10,10A-HEXAHYDRO-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE

METABOLITE -> PARENT

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					70BSQ12069

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
ORAL BIOAVAILABILITY	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC				INTRAVENOUS ADMINISTRATION

Biological Half-life	PHARMACOKINETIC				INTRAVENOUS ADMINISTRATION

Tmax	PHARMACOKINETIC				ONCE DAILY ORAL ADMINISTRATION