ELOBIXIBAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45N3O7S2
Molecular Weight	695.888
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC1(CCCC)CN(C2=CC=CC=C2)C3=CC(SC)=C(OCC(=O)N[C@@H](C(=O)NCC(O)=O)C4=CC=CC=C4)C=C3S(=O)(=O)C1

InChI

InChIKey=XFLQIRAKKLNXRQ-UUWRZZSWSA-N

InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H45N3O7S2
Molecular Weight	695.888
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/30129377 | https://www.ncbi.nlm.nih.gov/pubmed/30204504 | https://www.albireopharma.com/programs/elobixibat

Elobixibat is the first in class ileal bile acid transporter (IBAT) inhibitor. IBAT inhibitors block ileal absorption of bile acids by: (1) interrupting the enterohepatic circulation of bile resulting in a fall in serum cholesterol and (2) increasing the delivery of bile acids into the colon. Elobixibat stimulates both motor and secretory functions in the colon. Elobixibat is approved in Japan for the treatment of chronic constipation. Elobixibat has potential benefit in the treatment of non-alcoholic steatohepatitis.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ileal sodium/bile acid cotransporter 2 Target ID: Q12908 Gene ID: 6555.0 Gene Symbol: SLC10A2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/30129377 \| https://www.ncbi.nlm.nih.gov/pubmed/30204504	Inhibitor 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Chronic constipation 7 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30129377	Primary		Approved 8583	GOOFICE Approved Use Chronic constipation (excluding structural disease-induced constipation) Launch Date 2018

C_max

Value	Dose	Analyte	Population
413.05 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	2.5 mg single, oral dose: 2.5 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
1357.49 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
3165.49 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
82.66 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	2.5 mg 1 times / day multiple, oral dose: 2.5 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
236.11 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	10 mg 1 times / day multiple, oral dose: 10 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
953.18 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	20 mg 1 times / day multiple, oral dose: 20 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
1611 pg/mL OTHER GOV'T https://www.pmda.go.jp/files/000232054.pdf	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED

AUC

Value	Dose	Analyte	Population
1662.6 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	2.5 mg single, oral dose: 2.5 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
5462.58 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
12839.38 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
248.66 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	2.5 mg 1 times / day multiple, oral dose: 2.5 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
1355.22 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	10 mg 1 times / day multiple, oral dose: 10 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
3445.62 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	20 mg 1 times / day multiple, oral dose: 20 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
6265 pg × h/mL OTHER GOV'T https://www.pmda.go.jp/files/000232054.pdf	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED

T_1/2

Value	Dose	Analyte	Population
2.17 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	2.5 mg single, oral dose: 2.5 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
5.69 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
11.53 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
2.34 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	2.5 mg 1 times / day multiple, oral dose: 2.5 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
6.19 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	10 mg 1 times / day multiple, oral dose: 10 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
7.23 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29959787/	20 mg 1 times / day multiple, oral dose: 20 mg route of administration: Oral experiment type: MULTIPLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
6.6 h OTHER GOV'T https://www.pmda.go.jp/files/000232054.pdf	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED

F_unbound

Value	Dose	Co-administered	Analyte	Population
0.5% OTHER GOV'T https://www.pmda.go.jp/files/000232054.pdf	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:		ELOBIXIBAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED

Doses

Dose	Population	Adverse events
20 mg 1 times / day multiple, oral Highest recorded dose Dose: 20 mg, 1 times / day Route: oral Route: multiple Dose: 20 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/29959787/	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M+F Food Status: FASTED Sources: https://pubmed.ncbi.nlm.nih.gov/29959787/	Sources: https://pubmed.ncbi.nlm.nih.gov/29959787/
15 mg 1 times / day multiple, oral Highest studied dose Dose: 15 mg, 1 times / day Route: oral Route: multiple Dose: 15 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/28840422/	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M+F Food Status: FASTED Sources: https://pubmed.ncbi.nlm.nih.gov/28840422/	Disc. AE: Diarrhea, Abdominal pain... AEs leading to discontinuation/dose reduction: Diarrhea (13.3%) Abdominal pain (13.3%) Sources: https://pubmed.ncbi.nlm.nih.gov/28840422/

AEs

AE	Significance	Dose	Population
Abdominal pain	13.3% Disc. AE	15 mg 1 times / day multiple, oral Highest studied dose Dose: 15 mg, 1 times / day Route: oral Route: multiple Dose: 15 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/28840422/	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M+F Food Status: FASTED Sources: https://pubmed.ncbi.nlm.nih.gov/28840422/
Diarrhea	13.3% Disc. AE	15 mg 1 times / day multiple, oral Highest studied dose Dose: 15 mg, 1 times / day Route: oral Route: multiple Dose: 15 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/28840422/	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M+F Food Status: FASTED Sources: https://pubmed.ncbi.nlm.nih.gov/28840422/

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
	inhibitor 2438	inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP3A4/5 296 OAT3 747 CYP2C19 2057 OAT1 725 OATP1B3 961 OCT2 779 OATP1B1 1079 BCRP 910 MATE1 415 CYP1A2 2153 CYP2C8 1057 CYP2B6 926 MATE2-K 77	P-gp 2052 BCRP 697	CYP1A2 832 CYP3A4/5 133 CYP2B6 669

Drug as perpetrator

Target	Modality	Activity
MATE1 416	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 19.0	no [IC50 >0.6 uM]
MATE2-K 77	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 19.0	no [IC50 >0.6 uM]
OAT1 730	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 19.0	no [IC50 >0.6 uM]
OAT3 749	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 19.0	no [IC50 >0.6 uM]
OATP1B3 970	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 19.0	no [IC50 >0.6 uM]
OCT2 782	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 19.0	no [IC50 >0.6 uM]
CYP1A2 2333	inducer 1966 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
CYP1A2 2333	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
CYP2B6 1160	inducer 1966 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
CYP2B6 1160	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
CYP2C19 2141	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
CYP2C8 1117	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
CYP2C9 2497	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
CYP2D6 2546	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
CYP3A4/5 357	inducer 1966 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
OATP1B1 1095	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 19.0	yes [IC50 0.258 uM]
BCRP 985	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	yes [IC50 6 uM]
CYP3A4/5 357	inhibitor 4027 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	yes [Ki 7.7 uM]

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
BCRP 697	substrate 4014 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no
P-gp 2052	substrate 4014 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 18.0	no

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://www.pmda.go.jp/drugs/2018/P20180201001/111890000_23000AMX00013_A100_1.pdf Page: 8.0

PubMed

Title	Date	PubMed
Elobixibat for the treatment of constipation.	2018-10	30204504
Elobixibat, the first-in-class Ileal Bile Acid Transporter inhibitor, for the treatment of Chronic Idiopathic Constipation.	2018-08	30129377

Patents

Sample Use Guides

In Vivo Use Guide

The normal adult dose is 10 mg of elobixibat once daily orally before a meal. The dose can be increased or reduced depending on the symptoms. The maximal dose should be 15 mg per day.

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:39:53 GMT 2025` Edited by `admin` on `Wed Apr 02 09:39:53 GMT 2025`
Record UNII	865UEK4EJC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

elobixibat [INN]

Preferred Name

English

ELOBIXIBAT

Official Name

English

AZD7806

Code

English

Elobixibat [WHO-DD]

Common Name

English

A-3309

Code

English

AZD-7806

Code

English

ELOBIXIBAT [USAN]

Common Name

English

ELOBIXIBAT [MI]

Common Name

English

GLYCINE, (2R)-N-(2-((3,3-DIBUTYL-2,3,4,5-TETRAHYDRO-7-(METHYLTHIO)-1,1-DIOXIDO-5-PHENYL-1,5-BENZOTHIAZEPIN-8-YL)OXY)ACETYL)-2-PHENYLGLYCYL-

Systematic Name

English

((2R)-2-(2-((3,3-DIBUTYL-7-(METHYLSULFANYL)-1,1-DIOXO-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-1.LAMBDA.6,5-BENZOTHIAZEPIN-8-YL)OXY)ACETAMIDO)-2-PHENYLACETAMIDO)ACETIC ACID

Common Name

English

A3309

Code

English

GLYCINE, (2R)-N-(((3,3-DIBUTYL-2,3,4,5-TETRAHYDRO-7-(METHYLTHIO)-1,1-DIOXIDO-5-PHENYL-1,5-BENZOTHIAZEPIN-8-YL)OXY)ACETYL)-2-PHENYLGLYCYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9939892