e-Drug3D

1904

ELAGOLIX

INN
ELAGOLIX

cas 834153-87-6

CLASS

HORMONES
GONADOTROPIN-RELEASING HORMONE (GNRH) RECEPTOR ANTAGONIST
TREATMENT OF PAIN ASSOCIATED WITH ENDOMETRIOSIS

ROUTE (list)

ORAL

ATC code

H01CC03
H01CC53

PK parameters

Tmax 1 HOUR
VD 881 LITER
Cl 144 LITER / HOUR
PPB 80 PERCENT
t1/2 5 HOUR

Solubility

FREELY SOLUBLE IN WATER

Target

TARGET GONADOTROPIN-RELEASING HORMONE RECEPTOR

PDB
7BR3 (CRYSTAL STRUCTURE OF THE PROTEIN 1)

Ligand code = F5O (link to the list of PDB complexes)

Download experimental 3D coordinates of F5O with added hydrogens

DrugCentral

Gonadotropin-releasing hormone receptor UNIPROT P30968 GNRHR

Download SDF file

Butanoic acid, 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-

Formula:
C32H30F5N3O5

Calculated chemical properties:

MW 630.58
NB_atoms 45
XLogP 4.20
PSA 91.979
NB_HD 1
NB_HA 8
fsp3 0.28
Lipinski(0=no;1=yes) 0

FDA
NDA 210450 (label) INN (ELAGOLIX SODIUM) ORILISSA (ABBVIE) APPROVAL= AP YEAR= 2018 NEWMOLECULARENTITY
NDA 213388 (label) INN (ELAGOLIX SODIUM ; ESTRADIOL ; NORETHINDRONE ACETATE ; ELAGOLIX SODIUM) ORIAHNN COPACKAGED (ABBVIE) APPROVAL= AP YEAR= 2020
NDA 217642 (pdf not found) INN (ELAGOLIX) ELAGOLIX (TEVA PHARMS INC) APPROVAL= TA YEAR= 2025
NDA 217690 (pdf not found) INN (ELAGOLIX) ELAGOLIX (HETERO LABS LIMITED) APPROVAL= TA YEAR= 2025