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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

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
Relugolix (TAK-385) is an orally active nonpeptide gonadotropin-releasing hormone (GnRH) that binds to human GnRH receptors with subnanomolar affinity. Relugolix was demonstrated to act as a classic competitive antagonist of GnRH binding, but the exact molecular mechanism of that antagonism remains unknown. This drug is being developed as a treatment for various sex hormone related disorders. Clinical trials have been conducted to study safety and efficacy of relugolix as a treatment in endometriosis, uterine fibroids (noncancerous growths of the uterus), and prostate cancer. Two phase III trials evaluating the efficacy of Relugolix in patients with uterine fibroids were completed in 2019. No serious adverse events were reported.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.08 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Discovery of 1-{4-[1-(2,6-difluorobenzyl)-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 (TAK-385) as a potent, orally active, non-peptide antagonist of the human gonadotropin-releasing hormone receptor.
2011 Jul 28
Name Type Language
RELUGOLIX
INN   USAN   WHO-DD  
USAN   INN  
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 Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
Code System Code Type Description
DAILYMED
P76B05O5V6
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
NCI_THESAURUS
C114498
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
INN
9628
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
ChEMBL
CHEMBL1800159
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
USAN
CD-128
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
SMS_ID
100000174995
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
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WIKIPEDIA
RELUGOLIX
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
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PUBCHEM
10348973
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID40224167
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
DRUG BANK
DB11853
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
FDA UNII
P76B05O5V6
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
PRIMARY
CAS
737789-87-6
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
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RXCUI
2472778
Created by admin on Thu Jul 06 04:20:41 UTC 2023 , Edited by admin on Thu Jul 06 04:20:41 UTC 2023
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