ZAFIRLUKAST

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H33N3O6S
Molecular Weight	575.675
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ZAFIRLUKAST

Structure Search

SMILES

COC1=C(CC2=CN(C)C3=C2C=C(NC(=O)OC4CCCC4)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C5=C(C)C=CC=C5

InChI

InChIKey=YEEZWCHGZNKEEK-UHFFFAOYSA-N

InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)

HIDE SMILES / InChI

Molecular Formula	C31H33N3O6S
Molecular Weight	575.675
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:43:31 UTC 2023` Edited by `admin` on `Sat Dec 16 17:43:31 UTC 2023`
Record UNII	XZ629S5L50
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ZAFIRLUKAST

Official Name

English

ZAFIRLUKAST [MART.]

Common Name

English

Cyclopentyl 3-[2-methoxy-4-[(O-tolylsulfonyl)carbamoyl]benzyl]-1-methylindole-5-carbamate

Common Name

English

ZAFIRLUKAST [USAN]

Common Name

English

ICI-204,219

Common Name

English

ICI 204,219

Code

English

ICI-204219

Code

English

Zafirlukast [WHO-DD]

Common Name

English

ZAFIRLUKAST [MI]

Common Name

English

ACCOLATE

Brand Name

English

ZAFIRLUKAST [VANDF]

Common Name

English

ZAFIRLUKAST [ORANGE BOOK]

Common Name

English

zafirlukast [INN]

Common Name

English

ZAFIRLUKAST [JAN]

Common Name

English

CARBAMIC ACID, (3-((2-METHOXY-4-(((2-METHYLPHENYL)SULFONYL)AMINO)CARBONYL)PHENYL)METHYL)-1-METHYL-1H-INDOL-5-YL)-, CYCLOPENTYL ESTER

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000175777

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

NDF-RT

N0000000083

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

NCI_THESAURUS

C29712

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

LIVERTOX

NBK547915

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

WHO-ATC

R03DC01

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

WHO-VATC

QR03DC01

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

Code System Code Type Description

SMS_ID

100000091929

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

CAS

107753-78-6

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

USAN

GG-93

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

MERCK INDEX

m11576

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

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Merck Index

INN

7244

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

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FDA UNII

XZ629S5L50

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

EVMPD

SUB00128MIG

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

ChEMBL

CHEMBL603

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

NCI_THESAURUS

C47785

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

PUBCHEM

5717

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

IUPHAR

3322

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

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DRUG BANK

DB00549

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

EPA CompTox

DTXSID5023746

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

LACTMED

Zafirlukast

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

WIKIPEDIA

ZAFIRLUKAST

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

DRUG CENTRAL

2855

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

MESH

C062735

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

RXCUI

114970

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

RxNorm

DAILYMED

XZ629S5L50

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

CHEBI

10100

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

NDF-RT

N0000185504

Created by admin on Sat Dec 16 17:43:32 UTC 2023 , Edited by admin on Sat Dec 16 17:43:32 UTC 2023

PRIMARY

Cytochrome P450 2C9 Inhibitors [MoA]

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					LRF7RW46ID

CYSTEINYL LEUKOTRIENE RECEPTOR 1

TARGET -> INHIBITOR

Amount:


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR

Comments:

in vitro studies utilizing human liver microsomes show that zafirlukast inhibits the cytochrome P450 CYP3A4 and CYP2C9 isoenzymes at concentrations close to the clinically achieved total plasma concentrations.

Amount:


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Comments:

in vitro studies utilizing human liver microsomes show that zafirlukast inhibits the cytochrome P450 CYP3A4 and CYP2C9 isoenzymes at concentrations close to the clinically achieved total plasma concentrations

Amount:

Related Record Type Details


					UEM3BGH9XB

4-((5-(((CYCLOPENTYLOXY)CARBONYL)AMINO)-1-METHYL-1H-INDOL-3-YL)METHYL)-3-METHOXYBENZOIC ACID

IMPURITY -> PARENT

Amount:


					89NQ72CV3D

ZAFIRLUKAST P-TOLYL ISOMER

IMPURITY -> PARENT

Amount:

Related Record Type Details


					XZ629S5L50

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Route of Elimination	PHARMACOKINETIC
Volume of Distribution	PHARMACOKINETIC
Cmax	PHARMACOKINETIC				Populations PHARMACOKINETIC

Route of Elimination	PHARMACOKINETIC
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

Cmax	PHARMACOKINETIC				Populations PHARMACOKINETIC

Tmax	PHARMACOKINETIC
Onset of Action	PHARMACOKINETIC