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]
ATC Code
A07DA06: Eluxadoline
A07DA: Antipropulsives
A07D: ANTIPROPULSIVES
A07: ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A: ALIMENTARY TRACT AND METABOLISM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
UNII
45TPJ4MBQ1
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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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]
⏷ Show the Full List of 7 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
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
⏷ Show the Full List of 9 Pharmaceutical Excipients of This Drug
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.