PARITAPREVIR

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H43N7O7S
Molecular Weight	765.877
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PARITAPREVIR

Structure Search

SMILES

[H][C@@]12C[C@]1(NC(=O)[C@]3([H])C[C@H](CN3C(=O)[C@H](CCCCCC=C2)NC(=O)C4=CN=C(C)C=N4)OC5=NC6=C(C=CC=C6)C7=C5C=CC=C7)C(=O)NS(=O)(=O)C8CC8

InChI

InChIKey=UAUIUKWPKRJZJV-QPLHLKROSA-N

InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H43N7O7S
Molecular Weight	765.877
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:05:24 UTC 2023` Edited by `admin` on `Fri Dec 15 16:05:24 UTC 2023`
Record UNII	OU2YM37K86
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PARITAPREVIR

Official Name

English

(2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-{[(5-methylpyrazin-2-yl)carbonyl]amino}-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[E]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide

Systematic Name

English

ABT-450

Code

English

PARITAPREVIR [MI]

Common Name

English

paritaprevir [INN]

Common Name

English

VERUPREVIR ANHYDROUS

Common Name

English

(2R,6S,12Z,13AS,14AR,16AS)-N-(CYCLOPROPYLSULFONYL)-6-(5-METHYLPYRAZIN-2-CARBOXAMIDO)-5,16-DIOXO-2-(PHENANTHRIDIN-6-YLOXY)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16ATETRADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE

Systematic Name

English

Paritaprevir [WHO-DD]

Common Name

English

PARITAPREVIR [ORANGE BOOK]

Common Name

English

PARITAPREVIR [USAN]

Common Name

English

VIEKIRAX COMPONENT PARITAPREVIR

Brand Name

English

PARITAPREVIR COMPONENT OF VIEKIRAX

Brand Name

English

PARITAPREVIR [VANDF]

Common Name

English

VERUPREVIR

Common Name

English

Classification Tree Code System Code

WHO-ATC

J05AX67

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

NCI_THESAURUS

C783

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

WHO-ATC

J05AP53

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

NDF-RT

N0000182639

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

FDA ORPHAN DRUG

509215

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

WHO-ATC

J05AP52

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

FDA ORPHAN DRUG

484715

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

WHO-ATC

J05AX66

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

EMA ASSESSMENT REPORTS

VIEKIRAX (AUTHORIZED: HEPATITIS C, CHRONIC)

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

Code System Code Type Description

EVMPD

SUB166312

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

FDA UNII

OU2YM37K86

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

CHEBI

85188

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

INN

9739

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

NDF-RT

N0000182638

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

HCV NS3/4A Protease Inhibitors [MoA]

USAN

BC-09

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

NDF-RT

N0000190108

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 1B3 Inhibitors [MoA]

NDF-RT

N0000190107

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 1B1 Inhibitors [MoA]

EVMPD

SUB131077

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

CAS

1216941-48-8

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

NDF-RT

N0000191272

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

UGT1A1 Inhibitors [MoA]

EPA CompTox

DTXSID601027922

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

PUBCHEM

45110509

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

DRUG BANK

DB09297

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

NDF-RT

N0000185503

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

ChEMBL

CHEMBL3391662

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

RXCUI

1597373

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

RxNorm

WIKIPEDIA

Paritaprevir

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

NCI_THESAURUS

C123879

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

SMS_ID

100000157782

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

LACTMED

Paritaprevir

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

CAS

1221573-85-8

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

NO STRUCTURE GIVEN

MERCK INDEX

m11830

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

NDF-RT

N0000190113

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

Breast Cancer Resistance Protein Inhibitors [MoA]

LactMed

1216941-48-8

Created by admin on Fri Dec 15 16:05:24 UTC 2023 , Edited by admin on Fri Dec 15 16:05:24 UTC 2023

PRIMARY

Related Record Type Details


					OU2YM37K86

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					QI56415283

HEPATITIS C VIRUS

TARGET ORGANISM->INHIBITOR

Amount:


					S36X2B2WOX

HCV NS3-4A SERINE PROTEASE

TARGET -> INHIBITOR

Amount:


					HRQ5901O78

PARITAPREVIR DIHYDRATE

SOLVATE->ANHYDROUS

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Amount:


					OU2YM37K86

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Amount:

Related Record Type Details


					3F687PS65V

(2R,6S,12Z,13AS,14AR,16AS)-6-AMINO-N-(CYCLOPROPYLSULFONYL)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-2-(6-PHENANTHRIDINYLOXY)CYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE

METABOLITE -> PARENT

Qualification:

FECAL; URINE

Amount:


					3YR6LQ2BCY

S-((2R,6S,12S,13R,13AR,14AR,16AS)-14A-((CYCLOPROPYLSULFONYL)CARBAMOYL)-13-HYDROXY-6-(5-METHYLPYRAZINE-2-CARBOXAMIDO)-5,16-DIOXO-2-(PHENANTHRIDIN-6-YLOXY)OCTADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECIN-12-YL)-L-CYSTEINE

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					B861RS5NHI

5-METHYL-2-PYRAZINECARBOXYLIC ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

URINE

Amount:

Related Record Type Details


					OU2YM37K86

ACTIVE MOIETY

Amount:

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

Tmax	PHARMACOKINETIC