Details of the Drug

General Information of Drug (ID: DMB2C0E)

Drug Name

Elagolix

Synonyms

Elagolix; 834153-87-6; UNII-5B2546MB5Z; NBI-56418; 5B2546MB5Z; NBI56418; NBI 56418; Elagolix [USAN:INN]; Orilissa; ELA gOLIX; Elagolix (USAN/INN); SCHEMBL1642523; GTPL8362; CHEMBL1208155; DTXSID40232348; ABT-620; 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid; EX-A1765; BCP08827; ZINC49888891; CS-5329; SB16700; DB11979; compound 10b [PMID 19006286]; HY-14789; AN-27202; D09335; Z-3253; 153E876; Butanoic acid, 4-(((1R)-2-(5-(2-flu

Indication

Disease Entry	ICD 11	Status	REF
Uterine fibroids	2E86.0	Phase 3	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

631.6

Topological Polar Surface Area (xlogp)

2.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption Tmax: The time to maximum plasma concentration (Tmax) is 1 h [3]
Clearance: The apparent oral clearance of drug is 123 L/h [4]
Half-life: The concentration or amount of drug in body reduced by one-half in 4 - 6 hours [3]
Metabolism: The drug is metabolized via the CYP3A family of isoenzymes [5]
Vd: The volume of distribution (Vd) of drug is 1674 L [4]

Chemical Identifiers

Formula: C32H30F5N3O5
IUPAC Name: 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
Canonical SMILES: CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NCCCC(=O)O)C4=C(C(=CC=C4)OC)F
InChI: InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1
InChIKey: HEAUOKZIVMZVQL-VWLOTQADSA-N

Cross-matching ID

PubChem CID: 11250647
CAS Number: 834153-87-6
DrugBank ID: DB11979
TTD ID: D0UI3T

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	[6]

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Molecular Interaction Atlas (MIA)

MIA Detail

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 Elagolix (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Remdesivir	DMBFZ6L	Moderate	Increased risk of hepatotoxicity by the combination of Elagolix and Remdesivir.	1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019]	[17]
Ivosidenib	DM8S6T7	Moderate	Increased metabolism of Elagolix caused by Ivosidenib mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[18]
Gilteritinib	DMWQ4MZ	Moderate	Decreased clearance of Elagolix due to the transporter inhibition by Gilteritinib.	Acute myeloid leukaemia [2A60]	[19]
Oliceridine	DM6MDCF	Major	Increased metabolism of Elagolix caused by Oliceridine mediated induction of CYP450 enzyme.	Acute pain [MG31]	[20]
Troleandomycin	DMUZNIG	Major	Decreased metabolism of Elagolix caused by Troleandomycin mediated inhibition of CYP450 enzyme.	Bacterial infection [1A00-1C4Z]	[18]
Pexidartinib	DMS2J0Z	Major	Increased risk of hepatotoxicity by the combination of Elagolix and Pexidartinib.	Bone/articular cartilage neoplasm [2F7B]	[21]
LY2835219	DM93VBZ	Moderate	Increased metabolism of Elagolix caused by LY2835219 mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[22]
Alpelisib	DMEXMYK	Moderate	Increased metabolism of Elagolix caused by Alpelisib mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[23]
Eslicarbazepine	DMZREFQ	Moderate	Increased metabolism of Elagolix caused by Eslicarbazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[18]
Bay 80-6946	DMLOS5R	Moderate	Increased metabolism of Elagolix caused by Bay 80-6946 mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[24]
Tazemetostat	DMWP1BH	Major	Increased metabolism of Elagolix caused by Tazemetostat mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[25]
Ripretinib	DM958QB	Moderate	Increased metabolism of Elagolix caused by Ripretinib mediated induction of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[17]
Avapritinib	DMK2GZX	Moderate	Increased metabolism of Elagolix caused by Avapritinib mediated induction of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[19]
MK-1439	DM215WE	Moderate	Increased metabolism of Elagolix caused by MK-1439 mediated induction of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[26]
Berotralstat	DMWA2DZ	Major	Decreased clearance of Elagolix due to the transporter inhibition by Berotralstat.	Innate/adaptive immunodeficiency [4A00]	[27]
Pemigatinib	DM819JF	Moderate	Increased metabolism of Elagolix caused by Pemigatinib mediated induction of CYP450 enzyme.	Liver cancer [2C12]	[19]
Brigatinib	DM7W94S	Moderate	Increased metabolism of Elagolix caused by Brigatinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[17]
PF-06463922	DMKM7EW	Moderate	Increased metabolism of Elagolix caused by PF-06463922 mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[18]
Selpercatinib	DMZR15V	Moderate	Increased metabolism of Elagolix caused by Selpercatinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[28]
Ubrogepant	DM749I3	Moderate	Increased metabolism of Elagolix caused by Ubrogepant mediated induction of CYP450 enzyme.	Migraine [8A80]	[29]
Entrectinib	DMMPTLH	Moderate	Increased metabolism of Elagolix caused by Entrectinib mediated induction of CYP450 enzyme.	Non-small cell lung cancer [2C25]	[19]
Macimorelin	DMQYJIR	Moderate	Increased metabolism of Elagolix caused by Macimorelin mediated induction of CYP450 enzyme.	Pituitary gland disorder [5A60-5A61]	[30]
Lefamulin	DME6G97	Moderate	Decreased clearance of Elagolix due to the transporter inhibition by Lefamulin.	Pneumonia [CA40]	[31]
Darolutamide	DMV7YFT	Moderate	Increased metabolism of Elagolix caused by Darolutamide mediated induction of CYP450 enzyme.	Prostate cancer [2C82]	[32]
Telotristat ethyl	DMDIYFZ	Moderate	Increased metabolism of Elagolix caused by Telotristat ethyl mediated induction of CYP450 enzyme.	Small intestine developmental anomaly [DA90]	[18]
Larotrectinib	DM26CQR	Moderate	Increased metabolism of Elagolix caused by Larotrectinib mediated induction of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[17]
Fostamatinib	DM6AUHV	Moderate	Increased metabolism of Elagolix caused by Fostamatinib mediated induction of CYP450 enzyme.	Thrombocytopenia [3B64]	[28]
Lusutrombopag	DMH6IKO	Moderate	Decreased clearance of Elagolix due to the transporter inhibition by Lusutrombopag.	Thrombocytopenia [3B64]	[33]
Betrixaban	DM2C4RF	Moderate	Decreased clearance of Elagolix due to the transporter inhibition by Betrixaban.	Venous thromboembolism [BD72]	[34]
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⏷ Show the Full List of 29 DDI Information of This Drug

References

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2	ClinicalTrials.gov (NCT01620528) A Clinical Study to Evaluate the Safety and Efficacy of Elagolix in Subjects With Moderate to Severe Endometriosis-Associated Pain. U.S. National Institutes of Health.
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23	Product Information. Piqray (alpelisib). Novartis Pharmaceuticals, East Hanover, NJ.
24	Product Information. Aliqopa (copanlisib). Bayer Pharmaceutical Inc, West Haven, CT.
25	Product Information. Tazverik (tazemetostat). Epizyme, Inc, Cambridge, MA.
26	Product Information. Pifeltro (doravirine). Merck & Company Inc, Whitehouse Station, NJ.
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31	Product Information. Xenleta (lefamulin). Nabriva Therapeutics US, Inc., King of Prussia, PA.
32	Product Information. Nubeqa (darolutamide). Bayer HealthCare Pharmaceuticals Inc., Whippany, NJ.
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34	Product Information. Bevyxxa (betrixaban). Portola Pharmaceuticals, South San Francisco, CA.