ELOBIXIBAT MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45N3O7S2.H2O
Molecular Weight	713.904
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=VARDBGNECHECBX-MDYNBEAQSA-N

InChI=1S/C36H45N3O7S2.H2O/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);1H2/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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Chronic constipation 7 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30129377	Primary		Approved 8429	GOOFICE Approved Use Chronic constipation (excluding structural disease-induced constipation) Launch Date 2018

PubMed

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

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 `Sat Dec 16 16:16:34 GMT 2023` Edited by `admin` on `Sat Dec 16 16:16:34 GMT 2023`
Record UNII	C8YTS56FNG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELOBIXIBAT MONOHYDRATE

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-, HYDRATE (1:1)

Systematic Name

English

ELOBIXIBAT HYDRATE [JAN]

Common Name

English

ELOBIXIBAT HYDRATE [MI]

Common Name

English

ELOBIXIBAT HYDRATE

Common Name

English

Code System Code Type Description

CAS

1633824-78-8