VOXILAPREVIR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H52F4N6O9S
Molecular Weight	868.934
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VOXILAPREVIR

Structure Search

SMILES

[H][C@]12CN([C@@H]([C@@H]1CC)C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(C)CC4)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(F)(F)C6=NC7=CC=C(OC)C=C7N=C6O2)C(C)(C)C

InChI

InChIKey=MZBLZLWXUBZHSL-FZNJKFJKSA-N

InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H52F4N6O9S
Molecular Weight	868.934
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:39:01 UTC 2023` Edited by `admin` on `Sat Dec 16 09:39:01 UTC 2023`
Record UNII	0570F37359
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VOXILAPREVIR

Official Name

English

8H-7,10-METHANOCYCLOPROPA(18,19)(1,10,3,6)DIOXADIAZACYCLONONADECINO(11,12-B)QUINOXALINE-8-CARBOXAMIDE, N-((1R,2R)-2-(DIFLUOROMETHYL)-1-((((1-METHYLCYCLOPROPYL)SULFONYL)AMINO)CARBONYL)CYCLOPROPYL)-5-(1,1-DIMETHYLETHYL)-9-ETHYL-18,18-DIFLUORO-1,1A,3,4,5,6,

Systematic Name

English

VOXILAPREVIR [ORANGE BOOK]

Common Name

English

VOXILAPREVIR COMPONENT OF VOSEVI

Common Name

English

VOXILAPREVIR [MI]

Common Name

English

Voxilaprevir [WHO-DD]

Common Name

English

voxilaprevir [INN]

Common Name

English

VOSEVI COMPONENT VOXILAPREVIR

Common Name

English

VOXILAPREVIR [USAN]

Common Name

English

GS-9857

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C783

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

NDF-RT

N0000182639

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

NCI_THESAURUS

C281

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

WHO-ATC

J05AP56

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C152922

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

RXCUI

1939323

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

WIKIPEDIA

Voxilaprevir

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

CAS

1535212-07-7

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

USAN

DE-46

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

FDA UNII

0570F37359

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

INN

10143

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

MERCK INDEX

m12017

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

EPA CompTox

DTXSID301027947

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

DRUG CENTRAL

5242

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

ChEMBL

CHEMBL3707372

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

SMS_ID

100000171342

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

EVMPD

SUB185303

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

PUBCHEM

89921642

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

LACTMED

Voxilaprevir

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

DAILYMED

0570F37359

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

DRUG BANK

DB12026

Created by admin on Sat Dec 16 09:39:01 UTC 2023 , Edited by admin on Sat Dec 16 09:39:01 UTC 2023

PRIMARY

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					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE

0570F37359

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:


					S36X2B2WOX

HCV NS3-4A SERINE PROTEASE

TARGET -> INHIBITOR


					66DDF797LP

OATP-8

TRANSPORTER -> SUBSTRATE


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					AIN96D6SGL

OATP1B1

TRANSPORTER -> SUBSTRATE


					66DDF797LP

OATP-8

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					AIN96D6SGL

OATP1B1

TRANSPORTER -> SUBSTRATE

Qualification:

IC50

Amount:


					WCI46BYD7T

BSEP

TRANSPORTER -> SUBSTRATE

Qualification:

IC50

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> INHIBITOR

Comments:

inhibit 6.7% at 10 μM

Qualification:

IC50

Related Record Type Details


					DRH4W20GAD

DES-(METHYLCYCLOPROPYLSULFONAMIDE)-VOXILAPREVIR

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					8GK2CZ2M2B

17-DESMETHYL VOXILAPREVIR

METABOLITE -> PARENT

Qualification:

FECAL

Related Record Type Details

0570F37359

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Blood-to-plasma ratio	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC