IVACAFTOR

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H28N2O3
Molecular Weight	392.4907
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)C1=CC(=C(NC(=O)C2=CNC3=CC=CC=C3C2=O)C=C1O)C(C)(C)C

InChI

InChIKey=PURKAOJPTOLRMP-UHFFFAOYSA-N

InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)

HIDE SMILES / InChI

Molecular Formula	C24H28N2O3
Molecular Weight	392.4907
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 `Fri Dec 15 16:23:47 UTC 2023` Edited by `admin` on `Fri Dec 15 16:23:47 UTC 2023`
Record UNII	1Y740ILL1Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IVACAFTOR

Official Name

English

N-[2,4-Bis(1,1-dimethylethyl)-5-hydroxyphenyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

Systematic Name

English

ivacaftor [INN]

Common Name

English

ORKAMBI COMPONENT IVACAFTOR

Brand Name

English

TRIKAFTA COMPONENT IVACAFTOR

Brand Name

English

IVACAFTOR COMPONENT OF ORKAMBI

Brand Name

English

IVACAFTOR [VANDF]

Common Name

English

IVACAFTOR [ORANGE BOOK]

Common Name

English

IVACAFTOR [MI]

Common Name

English

3-QUINOLINECARBOXAMIDE, N-(2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL)-1,4-DIHYDRO-4-OXO-

Systematic Name

English

IVACAFTOR [USAN]

Common Name

English

VX-770

Code

English

KALYDECO

Brand Name

English

SYMKEVI COMPONENT IVACAFTOR

Brand Name

English

IVACAFTOR COMPONENT OF TRIKAFTA

Brand Name

English

Ivacaftor [WHO-DD]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

647618

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

WHO-VATC

QR07AX02

Created by admin on Fri Dec 15 16:23:48 UTC 2023 , Edited by admin on Fri Dec 15 16:23:48 UTC 2023

FDA ORPHAN DRUG

228306

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

LIVERTOX

NBK547889

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

EMA ASSESSMENT REPORTS

ORKAMBI (AUTHORIZED: CYSTIC FIBROSIS)

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

EU-Orphan Drug

EU/3/18/2116

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

EMA ASSESSMENT REPORTS

KALYDECO (AUTHORIZED: CYSTIC FIBROSIS)

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

FDA ORPHAN DRUG

577517

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

FDA ORPHAN DRUG

434814

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

NDF-RT

N0000184146

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

WHO-ATC

R07AX30

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

FDA ORPHAN DRUG

638618

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

WHO-ATC

R07AX02

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

WHO-ATC

R07AX31

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

Code System Code Type Description

EVMPD

SUB33103

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

IUPHAR

4342

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

LACTMED

Lumacaftor and Ivacaftor

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

NDF-RT

N0000184145

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

Chloride Channel Activation Potentiators [MoA]

INN

9263

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

CHEBI

66901

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

DRUG CENTRAL

4228

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

RXCUI

1243041

Created by admin on Fri Dec 15 16:23:48 UTC 2023 , Edited by admin on Fri Dec 15 16:23:48 UTC 2023

PRIMARY

RxNorm

FDA UNII

1Y740ILL1Z

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

PUBCHEM

16220172

Created by admin on Fri Dec 15 16:23:48 UTC 2023 , Edited by admin on Fri Dec 15 16:23:48 UTC 2023

PRIMARY

USAN

WW-53

Created by admin on Fri Dec 15 16:23:48 UTC 2023 , Edited by admin on Fri Dec 15 16:23:48 UTC 2023

PRIMARY

NDF-RT

N0000185504

Created by admin on Fri Dec 15 16:23:48 UTC 2023 , Edited by admin on Fri Dec 15 16:23:48 UTC 2023

PRIMARY

Cytochrome P450 2C9 Inhibitors [MoA]

NDF-RT

N0000190114

Created by admin on Fri Dec 15 16:23:48 UTC 2023 , Edited by admin on Fri Dec 15 16:23:48 UTC 2023

PRIMARY

Cytochrome P450 3A Inhibitors [MoA]

ChEMBL

CHEMBL2010601

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

SMS_ID

100000126135

Created by admin on Fri Dec 15 16:23:48 UTC 2023 , Edited by admin on Fri Dec 15 16:23:48 UTC 2023

PRIMARY

LACTMED

Elexacaftor, Tezacaftor and Ivacaftor

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

DRUG BANK

DB08820

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

CAS

873054-44-5

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

NDF-RT

N0000185503

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

NCI_THESAURUS

C166523

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

LACTMED

Tezacaftor and Ivacaftor

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

EPA CompTox

DTXSID00236281

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

DAILYMED

1Y740ILL1Z

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

WIKIPEDIA

IVACAFTOR

Created by admin on Fri Dec 15 16:23:48 UTC 2023 , Edited by admin on Fri Dec 15 16:23:48 UTC 2023

PRIMARY

NDF-RT

N0000182141

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

Cytochrome P450 3A4 Inhibitors [MoA]

MERCK INDEX

m6565

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

Merck Index

LACTMED

Ivacaftor

Created by admin on Fri Dec 15 16:23:47 UTC 2023 , Edited by admin on Fri Dec 15 16:23:47 UTC 2023

PRIMARY

Related Record Type Details


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Comments:

In vitro and clinical studies indicate that ivacaftor is primarily metabolized by CYP3A.

Interaction Type:

MAJOR

Amount:


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Ivacaftor is approximately 99% bound to plasma proteins, primarily to albumin, and also to alpha 1-acid glycoprotein and human gamma-globulin.

Interaction Type:

BINDING

Amount:


					SHA6U5FJZL

DEUTIVACAFTOR

LABELED -> NON-LABELED

Amount:


					1Y740ILL1Z

IVACAFTOR

EXCRETED UNCHANGED

Comments:

There was negligible urinary excretion of ivacaftor as unchanged drug.

Amount:


					PW7453NX3R

CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

TARGET -> ACTIVATOR

Amount:

Related Record Type Details


					38WUF8D79H

IVACAFTOR CARBOXYLATE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:


					38WUF8D79H

IVACAFTOR CARBOXYLATE

METABOLITE INACTIVE -> PARENT

Amount:


					38WUF8D79H

IVACAFTOR CARBOXYLATE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:


					6F3NVS9Y38

HYDROXYMETHYL-IVACAFTOR

METABOLITE ACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:

Related Record Type Details


					1Y740ILL1Z

IVACAFTOR

ACTIVE MOIETY

Amount:

Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC	ORAL ADMINISTRATION