DASABUVIR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H27N3O5S
Molecular Weight	493.575
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DASABUVIR

Structure Search

SMILES

COC1=C(C=C(C=C1C2=CC3=CC=C(NS(C)(=O)=O)C=C3C=C2)N4C=CC(=O)NC4=O)C(C)(C)C

InChI

InChIKey=NBRBXGKOEOGLOI-UHFFFAOYSA-N

InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)

HIDE SMILES / InChI

Molecular Formula	C26H27N3O5S
Molecular Weight	493.575
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:02:18 UTC 2023` Edited by `admin` on `Fri Dec 15 17:02:18 UTC 2023`
Record UNII	DE54EQW8T1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DASABUVIR

Official Name

English

dasabuvir [INN]

Common Name

English

N-(6-(3-TERT-BUTYL-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2-METHOXYPHENYL)NAPHTHALEN-2-YL)METHANESULFONAMIDE

Systematic Name

English

DASABUVIR [MI]

Common Name

English

METHANESULFONAMIDE, N-(6-(5-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-3-(1,1-DIMETHYLETHYL)-2-METHOXYPHENYL)-2-NAPHTHALENYL)-

Systematic Name

English

DASABUVIR [USAN]

Common Name

English

ABT-333

Code

English

Dasabuvir [WHO-DD]

Common Name

English

DASABUVIR [VANDF]

Common Name

English

Classification Tree Code System Code

WHO-ATC

J05AX66

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

WHO-ATC

J05AP09

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

WHO-ATC

J05AP52

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

FDA ORPHAN DRUG

484715

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

NCI_THESAURUS

C281

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

NDF-RT

N0000191257

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

WHO-ATC

J05AX16

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

Code System Code Type Description

LACTMED

Dasabuvir

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

SMS_ID

100000156931

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

CAS

1132935-63-7

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

EVMPD

SUB131059

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

USAN

BC-08

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

FDA UNII

DE54EQW8T1

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

PUBCHEM

56640146

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

RXCUI

1597381

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

RxNorm

DRUG BANK

DB09183

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

WIKIPEDIA

Dasabuvir

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

MERCK INDEX

m11828

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

ChEMBL

CHEMBL3137312

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

CAS

1221573-79-0

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

NO STRUCTURE GIVEN

CHEBI

85182

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

EPA CompTox

DTXSID301025953

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

NDF-RT

N0000191272

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

UGT1A1 Inhibitors [MoA]

INN

9741

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

NDF-RT

N0000190113

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

Breast Cancer Resistance Protein Inhibitors [MoA]

DRUG CENTRAL

4914

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

NDF-RT

N0000191258

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

RNA Replicase Inhibitors [MoA]

NCI_THESAURUS

C123880

Created by admin on Fri Dec 15 17:02:18 UTC 2023 , Edited by admin on Fri Dec 15 17:02:18 UTC 2023

PRIMARY

Related Record Type Details


					DE54EQW8T1

DASABUVIR

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					OG6D40M62L

DASABUVIR SODIUM MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					QI56415283

HEPATITIS C VIRUS

TARGET ORGANISM->INHIBITOR

Amount:


					VTC1801X29

HCV NS5B POLYMERASE

TARGET -> INHIBITOR

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Amount:


					R2M8F5TK9T

DASABUVIR SODIUM ANHYDROUS

SALT/SOLVATE -> PARENT

Amount:


					DE54EQW8T1

DASABUVIR

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Amount:

Related Record Type Details


					7H26EC52D6

2-(5-(2,4-DIOXOHEXAHYDROPYRIMIDIN-1-YL)-3-(6-(METHANESULFONAMIDO)-2-NAPHTHYL)-2-METHOXY-PHENYL)-2-METHYL-PROPANOIC ACID

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					5A40TDJ3P0

A-1039710 GLUCURONIDE

METABOLITE -> PARENT

Qualification:

PLASMA; URINE

Amount:


					UT7V26832A

(2-(5-(2,4-DIOXOPYRIMIDIN-1-YL)-3-(6-(METHANESULFONAMIDO)-2-NAPHTHYL)-2-METHOXY-PHENYL)-2-METHYL-PROPYL) HYDROGEN SULFATE

METABOLITE -> PARENT

Qualification:

PLASMA; URINE

Amount:


					65ZGD4UT93

N-(6-(5-(2,4-DIOXOPYRIMIDIN-1-YL)-2-HYDROXY-3-(2-HYDROXY-1,1-DIMETHYL-ETHYL)PHENYL)-2-NAPHTHYL)METHANESULFONAMIDE

METABOLITE -> PARENT

Qualification:

PLASMA; URINE

Amount:


					T7M54RGB6J

(2S,3S,4S,5R,6R)-6-(2-(5-(2,4-DIOXOPYRIMIDIN-1-YL)-3-(6-(METHANESULFONAMIDO)-2-NAPHTHYL)-2-METHOXY-PHENYL)-2-METHYL-PROPOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE

Amount:


					BJG3BK593P

A-1041392

METABOLITE -> PARENT

Qualification:

PLASMA

Amount:


					105BZ2BR3N

A-1039710

METABOLITE -> PARENT

Qualification:

FECAL

Amount:

Related Record Type Details


					DE54EQW8T1

DASABUVIR

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

blood-to-plasma ratio	PHARMACOKINETIC