ETRAVIRINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H15BrN6O
Molecular Weight	435.277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETRAVIRINE

Structure Search

SMILES

CC1=CC(=CC(C)=C1OC2=NC(NC3=CC=C(C=C3)C#N)=NC(N)=C2Br)C#N

InChI

InChIKey=PYGWGZALEOIKDF-UHFFFAOYSA-N

InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula	C20H15BrN6O
Molecular Weight	435.277
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 15:55:55 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:55 UTC 2023`
Record UNII	0C50HW4FO1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ETRAVIRINE

Official Name

English

ETRAVIRINE [JAN]

Common Name

English

etravirine [INN]

Common Name

English

TMC 125

Code

English

ETRAVIRINE [MI]

Common Name

English

ETRAVIRINE [MART.]

Common Name

English

INTELENCE

Brand Name

English

ETRAVIRINE [VANDF]

Common Name

English

Etravirine [WHO-DD]

Common Name

English

R165335

Code

English

BENZONITRILE, 4-((6-AMINO-5-BROMO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-DIMETHYL-

Systematic Name

English

4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-benzonitrile

Systematic Name

English

TMC125

Code

English

ETRAVIRINE [USAN]

Common Name

English

TMC-125

Code

English

ETRAVIRINE [EMA EPAR]

Common Name

English

ETRAVIRINE [ORANGE BOOK]

Common Name

English

R-165335

Code

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

INTELENCE (AUTHORIZED: HIV INFECTIONS)

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

NCI_THESAURUS

C97453

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

WHO-VATC

QJ05AG04

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

NDF-RT

N0000175463

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

NDF-RT

N0000009948

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

LIVERTOX

NBK548290

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

WHO-ATC

J05AG04

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

NDF-RT

N0000175460

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

Code System Code Type Description

PUBCHEM

193962

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

EPA CompTox

DTXSID30181412

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

MERCK INDEX

m5205

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

Merck Index

WIKIPEDIA

ETRAVIRINE

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

CAS

269055-15-4

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

INN

8303

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

ChEMBL

CHEMBL308954

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

MESH

C451734

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

USAN

RR-30

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

DAILYMED

0C50HW4FO1

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

NCI_THESAURUS

C73195

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

SMS_ID

100000089817

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

EVMPD

SUB25650

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

FDA UNII

0C50HW4FO1

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

RS_ITEM_NUM

1266824

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

LACTMED

Etravirine

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

RXCUI

475969

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

RxNorm

CHEBI

63589

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

DRUG CENTRAL

1115

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

DRUG BANK

DB06414

Created by admin on Fri Dec 15 15:55:55 UTC 2023 , Edited by admin on Fri Dec 15 15:55:55 UTC 2023

PRIMARY

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HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 POLYMERASE

TARGET -> INHIBITOR


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CYTOCHROME P450 2C9

METABOLIC ENZYME -> SUBSTRATE


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CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INDUCER


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Interaction Type:

ANTAGONIST

Qualification:

IC50

Amount:


					0C50HW4FO1

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Interaction Type:

WEAK

Qualification:

IC50

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					0C50HW4FO1

EXCRETED UNCHANGED

Comments:

No unchanged drug was recovered in the urine.

Qualification:

URINE

Amount:


					IHQ709299P

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3

METABOLIC ENZYME -> SUBSTRATE


					S5EY2C8G0B

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A8

METABOLIC ENZYME -> SUBSTRATE


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					B4JRR5Z56V

DIMETHYLHYDROXY ETRAVIRINE

PARENT -> METABOLITE


					B4JRR5Z56V

DIMETHYLHYDROXY ETRAVIRINE

METABOLITE -> PARENT


					AWA9PUU8DN

4-(6-AMINO-5-BROMO-2-(4-CYANOANILINO)PYRIMIDIN-4-YL)OXY-2-HYDROXY-5-(HYDROXYMETHYL)-3-METHYL-BENZONITRILE

METABOLITE -> PARENT


					L4ZR677MYJ

MONOMETHYLHYDROXY ETRAVIRINE

PARENT -> METABOLITE


					JP3N25ZB3I

MONOHYDROXY ETRAVIRINE

METABOLITE -> PARENT


					X66F6WJU25

4-(6-AMINO-5-BROMO-2-(4-CYANOANILINO)PYRIMIDIN-4-YL)OXY-2-HYDROXY-3-(HYDROXYMETHYL)-5-METHYL-BENZONITRILE

METABOLITE -> PARENT


					L4ZR677MYJ

MONOMETHYLHYDROXY ETRAVIRINE

METABOLITE -> PARENT

Related Record Type Details


					P6MT568GMV

4-((5-BROMO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-DIMETHYLBENZONITRILE

IMPURITY -> PARENT

Amount:

Related Record Type Details


					0C50HW4FO1

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				SINGLE DOSE ORAL ADMINISTRATION

Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION SINGLE DOSE