VELPATASVIR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H54N8O8
Molecular Weight	883.0019
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VELPATASVIR

Structure Search

SMILES

COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)C2=CC=CC=C2)C3=NC=C(N3)C4=CC=C5C(COC6=CC7=C(C=CC8=C7NC(=N8)[C@@H]9CC[C@H](C)N9C(=O)[C@@H](NC(=O)OC)C(C)C)C=C56)=C4

InChI

InChIKey=FHCUMDQMBHQXKK-CDIODLITSA-N

InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H54N8O8
Molecular Weight	883.0019
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:45:18 UTC 2023` Edited by `admin` on `Sat Dec 16 09:45:18 UTC 2023`
Record UNII	KCU0C7RS7Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VELPATASVIR

Official Name

English

VELPATASVIR [MI]

Common Name

English

VELPATASVIR [JAN]

Common Name

English

velpatasvir [INN]

Common Name

English

Velpatasvir [WHO-DD]

Common Name

English

EPCLUSA COMPONENT VELPATASVIR

Brand Name

English

VELPATASVIR COMPONENT OF EPCLUSA

Brand Name

English

VELPATASVIR [USAN]

Common Name

English

VOSEVI COMPONENT VELPATASVIR

Common Name

English

VELPATASVIR COMPONENT OF VOSEVI

Common Name

English

VELPATASVIR [ORANGE BOOK]

Common Name

English

GS-5816

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C281

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

WHO-ATC

J05AP56

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

NDF-RT

N0000191256

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

FDA ORPHAN DRUG

554816

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

NCI_THESAURUS

C783

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

WHO-ATC

J05AP55

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

Code System Code Type Description

LACTMED

Velpatasvir

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

SMS_ID

100000166177

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

NDF-RT

N0000190107

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 1B1 Inhibitors [MoA]

DRUG CENTRAL

5154

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

FDA UNII

KCU0C7RS7Z

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

NDF-RT

N0000190108

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 1B3 Inhibitors [MoA]

CAS

1377049-84-7

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545062

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

NDF-RT

N0000190113

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

Breast Cancer Resistance Protein Inhibitors [MoA]

RXCUI

1799206

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

NDF-RT

N0000190109

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 2B1 Inhibitors [MoA]

WIKIPEDIA

Velpatasvir

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

CHEBI

133009

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

NDF-RT

N0000185503

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

USAN

CD-110

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

MERCK INDEX

m11941

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

PUBCHEM

67683363

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

DAILYMED

KCU0C7RS7Z

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

NCI_THESAURUS

C152851

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

INN

9960

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

DRUG BANK

DB11613

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

EVMPD

SUB180213

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

EPA CompTox

DTXSID70722565

Created by admin on Sat Dec 16 09:45:19 UTC 2023 , Edited by admin on Sat Dec 16 09:45:19 UTC 2023

PRIMARY

Related Record Type Details


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					WCI46BYD7T

BSEP

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE


					G49RZO51ZC

OATP-B

TRANSPORTER -> INHIBITOR

Comments:

inhibit 30% at 10 μM

Qualification:

IC50


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					2VGG6P316Y

HCV NS5A

TARGET -> INHIBITOR

Comments:

In vitro antiviral activity against HCV genotypes 1 to 6

Interaction Type:

INHIBITOR

Qualification:

EC50

Amount:


					0UY97CSG1T

CYTOCHROME P450 2B6

METABOLIC ENZYME -> SUBSTRATE


					KCU0C7RS7Z

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:


					66DDF797LP

OATP-8

TRANSPORTER -> SUBSTRATE

Qualification:

IC50

Amount:

Related Record Type Details


					ZT4QPD8LUB

DESMETHYL-VELPATASVIR

METABOLITE -> PARENT

Related Record Type Details


					KCU0C7RS7Z

ACTIVE MOIETY

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

Tmax	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC