LEDIPASVIR

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H54F2N8O6
Molecular Weight	888.9999
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LEDIPASVIR

Structure Search

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C=C(C=C6)C7=CC=C8N=C(NC8=C7)[C@@H]9[C@H]%10CC[C@H](C%10)N9C(=O)[C@@H](NC(=O)OC)C(C)C)C5(F)F

InChI

InChIKey=VRTWBAAJJOHBQU-KMWAZVGDSA-N

InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H54F2N8O6
Molecular Weight	888.9999
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 16:56:01 UTC 2023` Edited by `admin` on `Sat Dec 16 16:56:01 UTC 2023`
Record UNII	013TE6E4WV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LEDIPASVIR

Official Name

English

HARVONI COMPONENT LEDIPASVIR

Brand Name

English

LEDIPASVIR [VANDF]

Common Name

English

LEDIPASVIR ACETONATE [JAN]

Common Name

English

LEDIPASVIR [MI]

Common Name

English

ledipasvir [INN]

Common Name

English

LEDIPASVIR COMPONENT OF HARVONI

Brand Name

English

LEDIPASVIR [USAN]

Common Name

English

GS-5885

Code

English

Ledipasvir [WHO-DD]

Common Name

English

LEDIPASVIR [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

WHO-ATC

J05AX65

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

NDF-RT

N0000191256

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

FDA ORPHAN DRUG

535916

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

EMA ASSESSMENT REPORTS

HARVONI (AUTHORIZED: HEPATITIS C, CHRONIC)

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

NCI_THESAURUS

C281

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

WHO-ATC

J05AP51

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

Code System Code Type Description

DRUG BANK

DB09027

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

SMS_ID

100000143385

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

DRUG CENTRAL

4899

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

NCI_THESAURUS

C129019

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

LACTMED

Ledipasvir

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

NDF-RT

N0000185503

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

MERCK INDEX

m11788

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

INN

9796

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

CAS

1256388-51-8

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

FDA UNII

013TE6E4WV

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

RXCUI

1591922

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

RxNorm

EPA CompTox

DTXSID90154829

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

DAILYMED

013TE6E4WV

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

CHEBI

85089

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

ChEMBL

CHEMBL2374220

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

EVMPD

SUB120165

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

PUBCHEM

67505836

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

NDF-RT

N0000190113

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

Breast Cancer Resistance Protein Inhibitors [MoA]

WIKIPEDIA

Ledipasvir

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

USAN

ZZ-132

Created by admin on Sat Dec 16 16:56:02 UTC 2023 , Edited by admin on Sat Dec 16 16:56:02 UTC 2023

PRIMARY

Related Record Type Details


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE

Comments:

LDV is a substrate for P-gp and BCRP in vitro (AD-256-2144 and AD-256-2150).


					Z6GY125S9S

LEDIPASVIR DIACETONE

SALT/SOLVATE -> PARENT


					RT680T6HCQ

LEDIPASVIR D-TARTRATE

SALT/SOLVATE -> PARENT


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Comments:

LDV is a substrate for P-gp and BCRP in vitro (AD-256-2144 and AD-256-2150).


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

LDV is >99.8% bound to human plasma proteins when determined in vitro with equilibrium dialysis. In agreement with in vitro data, LDV protein binding was ≥ 98% in healthy subjects and in subjects with renal or hepatic impairment.

Interaction Type:

BINDING

Amount:


					013TE6E4WV

EXCRETED UNCHANGED

Comments:

Unchanged LDV was the major component excreted in feces and accounted for a mean of 70% of the administered dose, but no unchanged parent drug was detected in urine.

Qualification:

FECAL

Amount:


					3J78ET35HX

LEDIPASVIR ACETONE

SALT/SOLVATE -> PARENT

Related Record Type Details


					013TE6E4WV

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				ONCE-DAILY DOSING

Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION