TEZACAFTOR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H27F3N2O6
Molecular Weight	520.4976
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TEZACAFTOR

Structure Search

SMILES

CC(C)(CO)C1=CC2=CC(NC(=O)C3(CC3)C4=CC=C5OC(F)(F)OC5=C4)=C(F)C=C2N1C[C@@H](O)CO

InChI

InChIKey=MJUVRTYWUMPBTR-MRXNPFEDSA-N

InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H27F3N2O6
Molecular Weight	520.4976
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:04:12 UTC 2023` Edited by `admin` on `Sat Dec 16 11:04:12 UTC 2023`
Record UNII	8RW88Y506K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TEZACAFTOR

Official Name

English

TEZACAFTOR [ORANGE BOOK]

Common Name

English

SYMKEVI COMPONENT TEZACAFTOR

Brand Name

English

TEZACAFTOR COMPONENT OF TRIKAFTA

Brand Name

English

VX-661

Code

English

Tezacaftor [WHO-DD]

Common Name

English

TEZACAFTOR [USAN]

Common Name

English

TRIKAFTA COMPONENT TEZACAFTOR

Brand Name

English

tezacaftor [INN]

Common Name

English

CYCLOPROPANECARBOXAMIDE, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-(1-((2R)-2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(2-HYDROXY-1,1-DIMETHYLETHYL)-1H-INDOL-5-YL)-

Systematic Name

English

TEZACAFTOR [MI]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

647618

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

WHO-ATC

R07AX31

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

FDA ORPHAN DRUG

427414

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

EU-Orphan Drug

EU/3/18/2116

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

NCI_THESAURUS

C87006

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

FDA ORPHAN DRUG

777220

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

FDA ORPHAN DRUG

638618

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

FDA ORPHAN DRUG

577517

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C152581

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

DRUG CENTRAL

5276

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

ChEMBL

CHEMBL3544914

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

RXCUI

1999382

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

LACTMED

Elexacaftor, Tezacaftor and Ivacaftor

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

DAILYMED

8RW88Y506K

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

EVMPD

SUB188271

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

WIKIPEDIA

Tezacaftor

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

FDA UNII

8RW88Y506K

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

DRUG BANK

DB11712

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

USAN

BC-114

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

PUBCHEM

46199646

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID40673070

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

MERCK INDEX

m12033

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

CAS

1152311-62-0

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

SMS_ID

100000174401

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

INN

10104

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

LACTMED

Tezacaftor and Ivacaftor

Created by admin on Sat Dec 16 11:04:13 UTC 2023 , Edited by admin on Sat Dec 16 11:04:13 UTC 2023

PRIMARY

Related Record Type Details


					AIN96D6SGL

OATP1B1

TRANSPORTER -> SUBSTRATE

Amount:


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Amount:


					8RW88Y506K

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

tezacaftor are approximately 99% bound to plasma proteins, primarily to albumin.

Interaction Type:

BINDING

Amount:


					0189J4XE1H

CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR F508 DELETED

TARGET->CORRECTOR

Comments:

Rescues CFTR folding and trafficking to the plasma membrane.

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:

Related Record Type Details


					SPY6P23P6A

5-(((1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPYL)CARBONYL)AMINO)-1-((2R)-2,3-DIHYDROXYPROPYL)-6-FLUORO-.ALPHA.,.ALPHA.-DIMETHYL-1H-INDOLE-2-ACETIC ACID

METABOLITE LESS ACTIVE -> PARENT

Amount:


					7SLE62FMZ6

(9-(1-(2,2-DIFLUOROBENZO(D)(1,3)DIOXOL-5-YL)CYCLOPROPANE-1-CARBOXAMIDO)-8-FLUORO-2-HYDROXY-1,1-DIMETHYL-1,2,4,5-TETRAHYDRO-(1,4)OXAZEPINO(4,5-A)INDOL-4-YL)METHYL DIHYDROGEN PHOSPHATE

METABOLITE INACTIVE -> PARENT

Amount:


					W7IY3YL3Y6

1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-(8-FLUORO-1,2,4,5-TETRAHYDRO-2-HYDROXY-4-(HYDROXYMETHYL)-1,1-DIMETHYL(1,4)OXAZEPINO(4,5-A)INDOL-9-YL)CYCLOPROPANECARBOXAMIDE

METABOLITE ACTIVE -> PARENT

Amount:

Related Record Type Details


					8RW88Y506K

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION

Volume of Distribution	PHARMACOKINETIC				ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC