Details of the Drug

General Information of Drug (ID: DMYZ0P1)

• Drug Name: Eluxadoline
• Synonyms: MuDelta

Indication

Disease Entry	ICD 11	Status	REF
Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 569.6
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• ADMET Property: Half-life: The concentration or amount of drug in body reduced by one-half in 3.7 hours [2]
• Chemical Identifiers:
  Formula: C32H35N5O5
  IUPAC Name: 5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid
  Canonical SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N(CC2=CC(=C(C=C2)OC)C(=O)O)[C@@H](C)C3=NC=C(N3)C4=CC=CC=C4)N)C)C(=O)N
  InChI: InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1
  InChIKey: QFNHIDANIVGXPE-FNZWTVRRSA-N
• Cross-matching ID:
  PubChem CID: 11250029
  ChEBI ID: CHEBI:85980
  CAS Number: 864821-90-9
  DrugBank ID: DB09272
  TTD ID: D09ZXR
  VARIDT ID: DR00149
  ACDINA ID: D00226

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Modulator	[3]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Modulator	[3]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DT3D8F0	SO1B1_HUMAN	Substrate	[4]

Molecular Expression Atlas of This Drug

• The Studied Disease: Diarrhea-predominant irritable bowel syndrome
• ICD Disease Classification: DD91.01

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17
Opioid receptor delta (OPRD1)	DTT	OPRD1	5.52E-01	0.03	0.23
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DTP	OATP1B1	8.47E-01	1.14E-02	8.20E-02

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Eluxadoline (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Troleandomycin	DMUZNIG	Moderate	Decreased metabolism of Eluxadoline caused by Troleandomycin mediated inhibition of CYP450 enzyme.	Bacterial infection [1A00-1C4Z]	[5]
Talazoparib	DM1KS78	Moderate	Decreased clearance of Eluxadoline due to the transporter inhibition by Talazoparib.	Breast cancer [2C60-2C6Y]	[6]
Revefenacin	DMMP5SI	Moderate	Decreased clearance of Eluxadoline due to the transporter inhibition by Revefenacin.	Chronic obstructive pulmonary disease [CA22]	[7]
GS-9857	DMYU6P5	Moderate	Decreased clearance of Eluxadoline due to the transporter inhibition by GS-9857.	Hepatitis virus infection [1E50-1E51]	[8]
Artesunate	DMR27C8	Major	Decreased clearance of Eluxadoline due to the transporter inhibition by Artesunate.	Malaria [1F40-1F45]	[9]
Ubrogepant	DM749I3	Moderate	Decreased clearance of Eluxadoline due to the transporter inhibition by Ubrogepant.	Migraine [8A80]	[10]
Darolutamide	DMV7YFT	Major	Decreased clearance of Eluxadoline due to the transporter inhibition by Darolutamide.	Prostate cancer [2C82]	[9]

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
Crospovidone	E00626	Not Available	Disintegrant
Eisenoxyd	E00585	56841934	Colorant
Ferric hydroxide oxide yellow	E00539	23320441	Colorant
Magnesium stearate	E00208	11177	lubricant
Polyvinyl alcohol	E00666	Not Available	Coating agent; Emulsion stabilizing agent; Film/Membrane-forming agent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Eluxadoline 100 mg tablet	100 mg	Oral Tablet	Oral
Eluxadoline 75 mg tablet	75 mg	Oral Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7691).
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [3] Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers.Biochem Pharmacol.2014 Dec 1;92(3):448-56.
• [4] Effect of uptake transporters OAT3 and OATP1B1 and efflux transporter MRP2 on the pharmacokinetics of eluxadoline. J Clin Pharmacol. 2015 May;55(5):534-42.
• [5] Product Information. Viberzi (eluxadoline). Actavis Pharma, Inc., Parsippany, NJ.
• [6] Product Information. Talzenna (talazoparib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
• [7] Product Information. Nexletol (bempedoic acid). Esperion Therapeutics, Ann Arbor, MI.
• [8] Product Information. Vosevi (sofosbuvir/velpatasvir/voxilaprevir). Gilead Sciences, Foster City, CA.
• [9] Cerner Multum, Inc. "UK Summary of Product Characteristics.".
• [10] Product Information. Ubrelvy (ubrogepant). Allergan Inc, Irvine, CA.