PIBRENTASVIR

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H65F5N10O8
Molecular Weight	1113.1802
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIBRENTASVIR

Structure Search

SMILES

CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C2=NC3=CC([C@H]4CC[C@@H](N4C5=CC(F)=C(N6CCC(CC6)C7=CC=C(F)C=C7)C(F)=C5)C8=C(F)C=C9NC(=NC9=C8)[C@@H]%10CCCN%10C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)=C(F)C=C3N2

InChI

InChIKey=VJYSBPDEJWLKKJ-NLIMODCCSA-N

InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C57H65F5N10O8
Molecular Weight	1113.1802
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 09:27:43 UTC 2023` Edited by `admin` on `Sat Dec 16 09:27:43 UTC 2023`
Record UNII	2WU922TK3L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PIBRENTASVIR

Official Name

English

Pibrentasvir [WHO-DD]

Common Name

English

ABT-530

Code

English

MAVYRET COMPONENT PIBRENTASVIR

Common Name

English

PIBRENTASVIR [ORANGE BOOK]

Common Name

English

PIBRENTASVIR [USAN]

Common Name

English

PIBRENTASVIR [JAN]

Common Name

English

PIBRENTASVIR [MI]

Common Name

English

DIMETHYL N,N'-(((2R,5R)-1-(3,5-DIFLUORO-4-(4-(4-FLUOROPHENYL)PIPERIDIN-1-YL)PHENYL)PYRROLIDINE-2,5-DIYL)BIS((6-FLUORO-1H-BENZIMIDAZOLE-5,2-DIYL)((2S)-PYRROLIDINE-2,1-DIYL)((2S,3R)-3-METHOXY-1-OXOBUTANE-1,2-DIYL)))BISCARBAMATE

Systematic Name

English

A-1325912.0

Code

English

pibrentasvir [INN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

550516

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

NDF-RT

N0000191256

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

WHO-ATC

J05AP57

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C166601

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

SMS_ID

100000166696

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

CAS

1353900-92-1

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

DAILYMED

2WU922TK3L

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

WIKIPEDIA

Pibrentasvir

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

USAN

CD-35

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545123

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

FDA UNII

2WU922TK3L

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

DRUG BANK

DB13878

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

EPA CompTox

DTXSID601027946

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

MERCK INDEX

m12027

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

LACTMED

Pibrentasvir

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

DRUG CENTRAL

5244

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

PUBCHEM

58031952

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

INN

10260

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

RXCUI

1940636

Created by admin on Sat Dec 16 09:27:44 UTC 2023 , Edited by admin on Sat Dec 16 09:27:44 UTC 2023

PRIMARY

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TRANSPORTER -> INHIBITOR


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PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


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MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


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ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

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TRANSPORTER -> INHIBITOR


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HCV NS5A

TARGET -> INHIBITOR

Comments:

Against HCV replicons containing NS5A from genotypes 1 to 6.

Qualification:

EC50

Amount:

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O-DESMETHYL PIBRENTASVIR

METABOLITE -> PARENT

Related Record Type Details


					2WU922TK3L

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Blood-to-Plasma Ratio	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC