Details of the Drug

General Information of Drug (ID: DMK7IWL)

Drug Name
Relugolix
Synonyms
737789-87-6; TAK-385; TAK 385; UNII-P76B05O5V6; CHEMBL1800159; TAK-385/TAK385; P76B05O5V6; 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; Relugolix [USAN:INN]; TAK385; Relugolix (JAN/INN); SCHEMBL778416; GTPL5586; DTXSID40224167; MolPort-044-567-649; AOMXMOCNKJTRQP-UHFFFAOYSA-N; EX-A1083; BCP21587; ZINC43206033; BDBM50347982; AKOS027440398; SB16721; DB11853; CS-5917
Indication
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Approved [1]
Endometriosis GA10 Phase 3 [2]
Affected Organisms
Humans and other mammals
ATC Code
L02BX04: Relugolix
L02BX: Other hormone antagonists and related agents
L02B: HORMONE ANTAGONISTS AND RELATED AGENTS
L02: ENDOCRINE THERAPY
L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 623.6
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 11
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 574 mcgh/L [3]
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 4.3 h [3]
Bioavailability
The bioavailability of drug is 30-60% [3]
Clearance
The renal clearance of drug is 8 L/h [4]
Elimination
Approximately 81% of an orally administered dose was recovered in the feces, of which 4.2% was unchanged parent drug, while 4.1% of the dose was recovered in the urine, of which 2.2% remained unchanged [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 25 hours [4]
Metabolism
The drug is metabolized via the CYP3A subfamily of P450 enzymes [4]
Chemical Identifiers
Formula
C29H27F2N7O5S
IUPAC Name
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Canonical SMILES
CN(C)CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=C(C=CC=C3F)F)C4=NN=C(C=C4)OC)C5=CC=C(C=C5)NC(=O)NOC
InChI
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)
InChIKey
AOMXMOCNKJTRQP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10348973
CAS Number
737789-87-6
UNII
P76B05O5V6
DrugBank ID
DB11853
TTD ID
D0F2WP
VARIDT ID
DR00186
ACDINA ID
D01379
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gonadotropin-releasing hormone receptor (GNRHR) TT8R70G GNRHR_HUMAN Antagonist [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Relugolix (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Ivosidenib DM8S6T7 Major Increased risk of prolong QT interval by the combination of Relugolix and Ivosidenib. Acute myeloid leukaemia [2A60] [6]
Gilteritinib DMTI0ZO Moderate Increased risk of prolong QT interval by the combination of Relugolix and Gilteritinib. Acute myeloid leukaemia [2A60] [7]
Oliceridine DM6MDCF Moderate Increased risk of prolong QT interval by the combination of Relugolix and Oliceridine. Acute pain [MG31] [7]
Levalbuterol DM5YBO1 Moderate Increased risk of prolong QT interval by the combination of Relugolix and Levalbuterol. Asthma [CA23] [8]
PF-04449913 DMSB068 Moderate Increased risk of prolong QT interval by the combination of Relugolix and PF-04449913. Chronic myelomonocytic leukaemia [2A40] [7]
MK-8228 DMOB58Q Moderate Accelerated clearance of Relugolix due to the transporter induction by MK-8228. Cytomegaloviral disease [1D82] [9]
Deutetrabenazine DMUPFLI Moderate Increased risk of prolong QT interval by the combination of Relugolix and Deutetrabenazine. Dystonic disorder [8A02] [7]
Selpercatinib DMZR15V Major Increased risk of prolong QT interval by the combination of Relugolix and Selpercatinib. Lung cancer [2C25] [7]
Siponimod DM2R86O Major Increased risk of ventricular arrhythmias by the combination of Relugolix and Siponimod. Multiple sclerosis [8A40] [10]
Ozanimod DMT6AM2 Major Increased risk of ventricular arrhythmias by the combination of Relugolix and Ozanimod. Multiple sclerosis [8A40] [11]
Entrectinib DMMPTLH Moderate Increased risk of prolong QT interval by the combination of Relugolix and Entrectinib. Non-small cell lung cancer [2C25] [7]
Rucaparib DM9PVX8 Moderate Increased risk of prolong QT interval by the combination of Relugolix and Rucaparib. Ovarian cancer [2C73] [7]
Triclabendazole DMPWGBR Moderate Increased risk of prolong QT interval by the combination of Relugolix and Triclabendazole. Parasitic worm infestation [1F90] [7]
Macimorelin DMQYJIR Major Increased risk of prolong QT interval by the combination of Relugolix and Macimorelin. Pituitary gland disorder [5A60-5A61] [12]
Lefamulin DME6G97 Major Increased risk of prolong QT interval by the combination of Relugolix and Lefamulin. Pneumonia [CA40] [13]
Fostamatinib DM6AUHV Major Decreased clearance of Relugolix due to the transporter inhibition by Fostamatinib. Thrombocytopenia [3B64] [9]
Elagolix DMB2C0E Major Decreased clearance of Relugolix due to the transporter inhibition by Elagolix. Uterine fibroid [2E86] [9]
⏷ Show the Full List of 17 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Mannitol E00103 6251 Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Hydroxypropyl cellulose E00632 Not Available Binding agent; Coating agent; Emulsifying agent; Film/Membrane-forming agent; Modified-release agent; Suspending agent; Viscosity-controlling agent
Hypromellose E00634 Not Available Coating agent
Magnesium stearate E00208 11177 lubricant
Titanium dioxide E00322 26042 Coating agent; Colorant; Opacifying agent
Haematite red E00236 14833 Colorant
⏷ Show the Full List of 6 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Relugolix 120 mg tablet 120 mg Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Hiemke C: [Paroxetine: pharmacokinetics and pharmacodynamics]. Fortschr Neurol Psychiatr. 1994 Sep;62 Suppl 1:2-8.
4 FDA Approved Drug Products: Orgovyx (relugolix) tablets for oral use
5 KEGG: new perspectives on genomes, pathways, diseases and drugs. Nucleic Acids Res. 2017 Jan 4;45(D1):D353-D361. (dg:DG01665)
6 Product Information. Tibsovo (ivosidenib). Agios Pharmaceuticals, Cambridge, MA.
7 Cerner Multum, Inc. "UK Summary of Product Characteristics.".
8 Product Information. Arcapta Neohaler (indacaterol). Novartis Pharmaceuticals, East Hanover, NJ.
9 Product Information. Orgovyx (relugolix). Myovant Sciences, Inc., Brisbane, CA.
10 Cerner Multum, Inc. "Australian Product Information.".
11 Product Information. Zeposia (ozanimod). Celgene Corporation, Summit, NJ.
12 Product Information. Macrilen (macimorelin). Aeterna Zentaris, Charleston, SC.
13 Product Information. Xenleta (lefamulin). Nabriva Therapeutics US, Inc., King of Prussia, PA.