ELUXADOLINE DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H35N5O5.2ClH
Molecular Weight	642.573
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ELUXADOLINE DIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C3=CC=CC=C3)C(=O)[C@@H](N)CC4=C(C)C=C(C=C4C)C(N)=O)C=C1C(O)=O

InChI

InChIKey=YFUUQKJOCLQHMZ-ISJKLOBTSA-N

InChI=1S/C32H35N5O5.2ClH/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);2*1H/t20-,26-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C32H35N5O5
Molecular Weight	569.6508
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940s000lbl.pdf
Curator's Comment: Description was created based on several sources, including http://adisinsight.springer.com/drugs/800031329 | https://www.ncbi.nlm.nih.gov/pubmed/22695132 | https://www.ncbi.nlm.nih.gov/pubmed/25261794

Eluxadoline, an orally active mixed μ opioid receptor (μOR) agonist δ opioid receptor (δOR) antagonist. Eluxadoline normalizes gastrointestinal (GI) transit and defecation under conditions of novel environment stress or post-inflammatory altered GI function. Allergan (previously Actavis) is developing eluxadoline for the treatment of diarrhoea-predominant irritable bowel syndrome. The agent was originated by Janssen Pharmaceutica. Eluxadoline has been launched in the US under trade name VIBERZI (eluxadoline) tablets, while is at the preregistration stage in the EU.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Mu opioid receptor 231 Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25261794 \| https://www.ncbi.nlm.nih.gov/pubmed/22671931 \| https://www.ncbi.nlm.nih.gov/pubmed/22695132	Agonist 2752		1.7 nM [Ki]
Delta opioid receptor 81 Target ID: CHEMBL236 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25261794 \| https://www.ncbi.nlm.nih.gov/pubmed/22671931 \| https://www.ncbi.nlm.nih.gov/pubmed/22695132	Antagonist 2849		1.3 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Irritable bowel syndrome with diarrhea 3 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940s000lbl.pdf	Primary		Approved 8583	VIBERZI Approved Use VIBERZI is a mu-opioid receptor agonist, indicated in adults for the treatment of irritable bowel syndrome with diarrhea (IBS-D) Launch Date 2015

C_max

Value	Dose	Analyte	Population
4.1 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
27.6 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
29.9 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
58.8 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Analyte	Population
22.1 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
268.1 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
104.8 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
237.2 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Analyte	Population
4.4 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
14.4 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
21.8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
5.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28719721	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	ELUXADOLINE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
19% DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/206940s007lbl.pdf	unknown, oral		ELUXADOLINE plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Doses

Dose	Population	Adverse events
2000 mg 1 times / day single, oral Highest studied dose Dose: 2000 mg, 1 times / day Route: oral Route: single Dose: 2000 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf https://www.ema.europa.eu/en/documents/assessment-report/truberzi-epar-public-assessment-report_en.pdf	healthy, adult Health Status: healthy Age Group: adult Sex: M Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf https://www.ema.europa.eu/en/documents/assessment-report/truberzi-epar-public-assessment-report_en.pdf	Other AEs: Nausea, Abdominal pain... Other AEs: Nausea Abdominal pain Constipation Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf https://www.ema.europa.eu/en/documents/assessment-report/truberzi-epar-public-assessment-report_en.pdf
1000 mg 1 times / day single, oral MTD Dose: 1000 mg, 1 times / day Route: oral Route: single Dose: 1000 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf https://www.ema.europa.eu/en/documents/assessment-report/truberzi-epar-public-assessment-report_en.pdf	healthy, adult Health Status: healthy Age Group: adult Sex: F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf https://www.ema.europa.eu/en/documents/assessment-report/truberzi-epar-public-assessment-report_en.pdf	Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf https://www.ema.europa.eu/en/documents/assessment-report/truberzi-epar-public-assessment-report_en.pdf
1500 mg 1 times / day single, oral MTD Dose: 1500 mg, 1 times / day Route: oral Route: single Dose: 1500 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf	healthy, adult Health Status: healthy Age Group: adult Sex: M Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf	Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf
100 mg 2 times / day multiple, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: multiple Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940Orig1s000lbl.pdf	unhealthy, mean age 45.5 years Health Status: unhealthy Age Group: mean age 45.5 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940Orig1s000lbl.pdf	Other AEs: Rash... Other AEs: Rash (3%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940Orig1s000lbl.pdf
100 mg 2 times / day multiple, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: multiple Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf	unhealthy, mean age 45.5 years Health Status: unhealthy Age Group: mean age 45.5 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf	Disc. AE: Abdominal pain, Constipation... Other AEs: Dizziness, Fatigue... AEs leading to discontinuation/dose reduction: Abdominal pain (1.4%) Constipation (1.5%) Headache (0.1%) Dizziness (0.1%) Vomiting (0.2%) Somnolence (0.1%) Other AEs: Dizziness (2.6%) Fatigue (1.9%) Anxiety (1.9%) Depression (1.2%) Somnolence (1.1%) Nausea (7.1%) Constipation (8.1%) Abdominal pain (4.6%) Vomiting (4.2%) Flatulence (3.2%) Abdominal distension (2.7%) Upper respiratory tract infection (5.1%) Nasopharyngitis (3%) Sinusitis (2.6%) Bronchitis (2.9%) Gastroenteritis viral (1.4%) Urinary tract infection (1.7%) Headache (4.3%) Dizziness (3.2%) Fatigue (1.9%) ALT increased (2.5%) Hypertension (1.4%) Bilirubin elevated (1.3%) Alkaline phosphatase (0.8%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf
75 mg 2 times / day multiple, oral Recommended Dose: 75 mg, 2 times / day Route: oral Route: multiple Dose: 75 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940Orig1s000lbl.pdf	unhealthy, mean age 45.5 years Health Status: unhealthy Age Group: mean age 45.5 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940Orig1s000lbl.pdf	Other AEs: Rash... Other AEs: Rash (3%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940Orig1s000lbl.pdf
75 mg 2 times / day multiple, oral Recommended Dose: 75 mg, 2 times / day Route: oral Route: multiple Dose: 75 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf	unhealthy, mean age 45.5 years Health Status: unhealthy Age Group: mean age 45.5 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf	Disc. AE: Abdominal pain, Constipation... Other AEs: Dizziness, Fatigue... AEs leading to discontinuation/dose reduction: Abdominal pain (1.5%) Constipation (1.1%) Nausea (0.6%) Headache (0.4%) Dizziness (0.1%) Vomiting (0.1%) Pruritis (0.1%) Other AEs: Dizziness (2.6%) Fatigue (2.6%) Anxiety (1.2%) Depression (1.1%) Somnolence (0.1%) Nausea (8.1%) Constipation (7.4%) Abdominal pain (4.1%) Vomiting (4%) Flatulence (2.6%) Abdominal distension (2.6%) Upper respiratory tract infection (3.3%) Nasopharyngitis (4.1%) Sinusitis (3.3%) Bronchitis (3.2%) Gastroenteritis viral (2.7%) Urinary tract infection (2.1%) Headache (4%) Dizziness (2.6%) Fatigue (2.6%) ALT increased (2.1%) Hypertension (2.5%) Bilirubin elevated (1.9%) Alkaline phosphatase (0.9%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf
200 mg 2 times / day multiple, oral Studied dose Dose: 200 mg, 2 times / day Route: oral Route: multiple Dose: 200 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf	unhealthy, mean age 63.6 years Health Status: unhealthy Age Group: mean age 63.6 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf	Disc. AE: Abdominal pain, Constipation... AEs leading to discontinuation/dose reduction: Abdominal pain (7%) Constipation (2.3%) Nausea (2.3%) Headache (1.8%) Dizziness (1.8%) Vomiting (1.2%) Fatigue (1.2%) Dry mouth (1.8%) Somnolence (1.2%) Pruritis (1.2%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000MedR.pdf

AEs

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2252	inhibitor 2438 inducer 440	inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 2153 CYP2C19 2057 OATP1B1 1079 OAT1 725 OAT3 747 OCT1 620 OCT2 779 OATP1B3 961 P-gp 1741 BCRP 910 BSEP 550 MRP2 499 CYP2A6 879 CYP2B6 926 CYP2E1 1060	OAT3 391 OATP1B1 503 BSEP 63 MRP2 252 OCT1 393 OCT2 434 OAT1 395 OATP1B3 435 P-gp 2052 BCRP 697 UGT1A1 479	CYP1A2 832 CYP2C19 329

Drug as perpetrator

Target	Modality	Activity
BCRP 985	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
BSEP 554	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
CYP1A2 2333	inducer 1966 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
CYP1A2 2333	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=9 Page: 9.0	no
CYP2A6 911	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=35 Page: 35.0	no
CYP2B6 1160	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=35 Page: 35.0	no
CYP2C19 2141	inducer 1966 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
CYP2C19 2141	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=9 Page: 9.0	no
CYP2C9 2497	inducer 1966 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
CYP2C9 2497	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=9 Page: 9.0	no
CYP2D6 2546	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=9 Page: 9.0	no
CYP3A4 2633	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=9 Page: 9.0	no
MRP2 625	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OAT1 730	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OAT3 749	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OATP1B3 970	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OCT1 656	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OCT2 782	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
P-gp 1932	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OATP1B1 1095	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	weak
CYP2E1 1146	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=35 Page: 35.0	yes

Drug as victim

Target	Modality	Activity	Clinical evidence
OAT1 395	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OATP1B3 435	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OCT1 393	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
OCT2 434	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	no
BCRP 697	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	weak
P-gp 2052	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	weak
BSEP 63	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	yes
UGT1A1 479	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=35 Page: 35.0	yes
MRP2 252	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	yes	yes (co-administration study) Comment: Coadministration of single oral dose of 500 mg probenecid (an inhibitor of MRP2 and OAT3) with single oral dose of 100 mg eluxadoline increased both AUC and Cmax of eluxadoline by 30%, which is not considered to be clinically significant. Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0
OAT3 391	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	yes	yes (co-administration study) Comment: Coadministration of single oral dose of 500 mg probenecid (an inhibitor of MRP2 and OAT3) with single oral dose of 100 mg eluxadoline increased both AUC and Cmax of eluxadoline by 30%, which is not considered to be clinically significant. Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0
OATP1B1 503	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0	yes	yes (co-administration study) Comment: Coadministration of single oral dose of 600 mg cyclosporine (an inhibitor of many transporters including OATP1B1 and MRP2) with single oral dose of 100 mg eluxadoline increased eluxadoline AUC by 4.4 fold and Cmax by 6.2 fold. Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000ClinPharmR.pdf#page=10 Page: 10.0

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206940Orig1s000PharmR.pdf#page=23 Page: 23.0

Sourcing

Vendor/Aggregator	ID	URL
ChEBI	CHEBI:85980	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85980
ChemicalBook	CB12723517	https://www.chemicalbook.com/ChemicalProductProperty_EN_CB12723517
MolPort	MolPort-044-183-657	https://www.molport.com/shop/molecule-link/MolPort-044-183-657
ZINC	ZINC000014210876	http://zinc15.docking.org/substances/ZINC000014210876

PubMed

Title	Date	PubMed
Eluxadoline: First Global Approval.	2015-07	26149369
Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers.	2014-12-01	25261794
Modulation of gastrointestinal function by MuDelta, a mixed µ opioid receptor agonist/ µ opioid receptor antagonist.	2012-11	22671931
Identification of a dual δ OR antagonist/μ OR agonist as a potential therapeutic for diarrhea-predominant Irritable Bowel Syndrome (IBS-d).	2012-07-15	22695132

Patents

Sample Use Guides

In Vivo Use Guide

The recommended dosage in adults is 100 mg twice daily taken with food. • The recommended dosage is 75 mg twice daily taken with food in patients who: * do not have a gallbladder * are unable to tolerate the 100 mg dose * are receiving concomitant OATP1B1 inhibitors * have mild or moderate hepatic impairment • Discontinue VIBERZI in patients who develop severe constipation for more than 4 days • If a dose is missed, take the next dose at the regular time; do not take 2 doses at once

Route of Administration: Oral

In Vitro Use Guide

In the guinea pig isolated ileum, MuDelta (eluxadoline) reduced electrical field stimulation-evoked contractions similar to DAMGO, with Kis of 1.0 and 1.3 nM, respectively. ) In guinea pig isolated proximal colon, MuDelta (eluxadoline) had weak k opioid receptor agonist activity compared with the k opioid receptor agonist ICI 204 448, with IC50 = 1.6 mM and 1.7 nM, respectively

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:25:13 GMT 2025` Edited by `admin` on `Mon Mar 31 21:25:13 GMT 2025`
Record UNII	7U4JQA48TT
Record Status	`Validated (UNII)`
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Name

Type

Language

MUDELTA

Preferred Name

English

ELUXADOLINE DIHYDROCHLORIDE

Common Name

English

BENZOIC ACID, 5-((((2S)-2-AMINO-3-(4-(AMINOCARBONYL)-2,6-DIMETHYLPHENYL)-1-OXOPROPYL)((1S)-1-(5-PHENYL-1H-IMIDAZOL-2-YL)ETHYL)AMINO)METHYL)-2-METHOXY-, HYDROCHLORIDE (1:2)

Systematic Name

English

ELUXADOLINE DIHYDROCHLORIDE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

7U4JQA48TT