DOLUTEGRAVIR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19F2N3O5
Molecular Weight	419.3788
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOLUTEGRAVIR

Structure Search

SMILES

[H][C@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(O)=C3C(=O)N1[C@H](C)CCO2

InChI

InChIKey=RHWKPHLQXYSBKR-BMIGLBTASA-N

InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H19F2N3O5
Molecular Weight	419.3788
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:45:28 UTC 2023` Edited by `admin` on `Fri Dec 15 18:45:28 UTC 2023`
Record UNII	DKO1W9H7M1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOLUTEGRAVIR

Official Name

English

S-349572

Code

English

dolutegravir [INN]

Common Name

English

GSK1349572A

Code

English

Dolutegravir [WHO-DD]

Common Name

English

DTG

Common Name

English

DOLUTEGRAVIR [USAN]

Common Name

English

GSK1349572

Code

English

GSK-1349572

Code

English

DOLUTEGRAVIR [VANDF]

Common Name

English

DOLUTEGRAVIR [MI]

Common Name

English

GSK 1349572

Code

English

(4R,12.ALPHA.S)-N-((2,4-DIFLUOROPHENYL)METHYL)-7-HYDROXY-4-METHYL-6,8-DIOXO-3,4,6,8,12,12.ALPHA.-HEXAHYDRO-2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-.BETA.)(1,3)OXAZINE-9-CARBOXAMIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C281

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

WHO-ATC

J05AR13

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

NDF-RT

N0000175887

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

WHO-VATC

QJ05AX12

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

WHO-ATC

J05AR21

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

WHO-ATC

J05AX12

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

Code System Code Type Description

LACTMED

Dolutegravir

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

NCI_THESAURUS

C121543

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

CHEBI

76007

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

DAILYMED

DKO1W9H7M1

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

DRUG CENTRAL

4805

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

USAN

WW-50

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

HSDB

8152

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

ChEMBL

CHEMBL1229211

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

EPA CompTox

DTXSID90909356

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

DRUG BANK

DB08930

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

CAS

1051375-16-6

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

PUBCHEM

54726191

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

EVMPD

SUB35122

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

INN

9261

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

RXCUI

1433868

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

RxNorm

MESH

C562325

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

MERCK INDEX

m4730

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

Merck Index

NDF-RT

N0000187061

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

Organic Cation Transporter 2 Inhibitors [MoA]

FDA UNII

DKO1W9H7M1

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

WIKIPEDIA

DOLUTEGRAVIR

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

NDF-RT

N0000191423

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

Multidrug and Toxin Extrusion Transporter 1 Inhibitors [MoA]

SMS_ID

100000128282

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

IUPHAR

7365

Created by admin on Fri Dec 15 18:45:28 UTC 2023 , Edited by admin on Fri Dec 15 18:45:28 UTC 2023

PRIMARY

Related Record Type Details


					0E1T06685X

DOLUTEGRAVIR SODIUM MONOHYDRATE

SALT/SOLVATE -> PARENT


					859A956UY8

HUMAN IMMUNODEFICIENCY VIRUS TYPE 1

TARGET ORGANISM->INHIBITOR

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					3318TFY23Q

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A9

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					DKO1W9H7M1

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE


					DKO1W9H7M1

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					YY6481J2FF

HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 INTEGRASE

TARGET -> INHIBITOR

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount:


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					1Q1V9V5WYQ

DOLUTEGRAVIR SODIUM

SALT/SOLVATE -> PARENT


					IHQ709299P

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					DKO1W9H7M1

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				HIGH-FAT MEAL ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION FASTED STATE

Volume of Distribution	PHARMACOKINETIC				ONCE DAILY ADMINISTRATION