RELUGOLIX

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H27F2N7O5S
Molecular Weight	623.63
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RELUGOLIX

Structure Search

SMILES

CONC(=O)NC1=CC=C(C=C1)C2=C(CN(C)C)C3=C(S2)N(CC4=C(F)C=CC=C4F)C(=O)N(C3=O)C5=CC=C(OC)N=N5

InChI

InChIKey=AOMXMOCNKJTRQP-UHFFFAOYSA-N

InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)

HIDE SMILES / InChI

Molecular Formula	C29H27F2N7O5S
Molecular Weight	623.63
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 21:31:15 UTC 2023` Edited by `admin` on `Fri Dec 15 21:31:15 UTC 2023`
Record UNII	P76B05O5V6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RELUGOLIX

Official Name

English

MYFEMBREE COMPONENT RELUGOLIX

Brand Name

English

RELUGOLIX COMPONENT OF MYFEMBREE

Brand Name

English

Relugolix [WHO-DD]

Common Name

English

RELUGOLIX [JAN]

Common Name

English

TAK-385

Code

English

relugolix [INN]

Common Name

English

RELUGOLIX [ORANGE BOOK]

Common Name

English Albanian

UREA, N-(4-(1-((2,6-DIFLUOROPHENYL)METHYL)-5-((DIMETHYLAMINO)METHYL)-1,2,3,4-TETRAHYDRO-3-(6-METHOXY-3-PYRIDAZINYL)-2,4-DIOXOTHIENO(2,3-D)PYRIMIDIN-6-YL)PHENYL)-N'-METHOXY-

Systematic Name

English

ORGOVYX

Brand Name

English

1-(4-{1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea

Systematic Name

English

RELUGOLIX [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C63347

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

Code System Code Type Description

DAILYMED

P76B05O5V6

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

NCI_THESAURUS

C114498

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

INN

9628

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

ChEMBL

CHEMBL1800159

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

USAN

CD-128

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

SMS_ID

100000174995

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

WIKIPEDIA

RELUGOLIX

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

PUBCHEM

10348973

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

EPA CompTox

DTXSID40224167

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

DRUG BANK

DB11853

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

FDA UNII

P76B05O5V6

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

CAS

737789-87-6

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

RXCUI

2472778

Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023

PRIMARY

Related Record Type Details


					0UY97CSG1T

CYTOCHROME P450 2B6

METABOLIC ENZYME -> INDUCER


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INDUCER


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE


					MJK4KMT12V

GONADOTROPIN-RELEASING HORMONE RECEPTOR

TARGET -> INHIBITOR

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Plasma protein binding of relugolix is 68 to 71%, primarily to albumin and to a lesser extent to α1-acid glycoprotein.


					P76B05O5V6

RELUGOLIX

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					P76B05O5V6

RELUGOLIX

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Comments:

Co-administration with rifampin (P-gp and strong CYP3A inducer) decreased the AUC and Cmax of relugolix by 55% and 23%, respectively.

Interaction Type:

MAJOR


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> INHIBITOR


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Comments:

Relugolix is a substrate for intestinal P-gp.Co-administration with rifampin (P-gp and strong CYP3A inducer) decreased the AUC and Cmax of relugolix by 55% and 23%, respectively.

Related Record Type Details


					P76B05O5V6

RELUGOLIX

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
terminal elimination half-life	PHARMACOKINETIC

blood-to-plasma ratio	PHARMACOKINETIC

effective half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC