ELIGLUSTAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H36N2O4
Molecular Weight	404.5429
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ELIGLUSTAT

Structure Search

SMILES

CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C2=CC=C3OCCOC3=C2

InChI

InChIKey=FJZZPCZKBUKGGU-AUSIDOKSSA-N

InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H36N2O4
Molecular Weight	404.5429
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:50:24 UTC 2023` Edited by `admin` on `Fri Dec 15 18:50:24 UTC 2023`
Record UNII	DR40J4WA67
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ELIGLUSTAT

Official Name

English

GENZ 99067

Code

English

N-((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(PYRROLIDIN-1- YLMETHYL)ETHYL)OCTANAMIDE

Systematic Name

English

GENZ-99067

Code

English

ELIGLUSTAT [VANDF]

Common Name

English

OCTANAMIDE, N-((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(1- PYRROLIDINYLMETHYL)ETHYL)-

Systematic Name

English

Eliglustat [WHO-DD]

Common Name

English

ELIGLUSTAT [USAN]

Common Name

English

ELIGLUSTAT [MI]

Common Name

English

eliglustat [INN]

Common Name

English

Classification Tree Code System Code

WHO-ATC

A16AX10

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

FDA ORPHAN DRUG

265408

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

NCI_THESAURUS

C471

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

WHO-VATC

QA16AX10

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

NDF-RT

N0000175783

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

Code System Code Type Description

PUBCHEM

23652731

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

RXCUI

1547220

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

RxNorm

IUPHAR

7536

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

EVMPD

SUB129474

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

NDF-RT

N0000182137

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

Cytochrome P450 2D6 Inhibitors [MoA]

DRUG CENTRAL

4834

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

EPA CompTox

DTXSID20964175

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

USAN

UU-08

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

DAILYMED

DR40J4WA67

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

NDF-RT

N0000185503

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

FDA UNII

DR40J4WA67

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

CAS

491833-29-5

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110588

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

NCI_THESAURUS

C96282

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

LACTMED

Eliglustat

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

SMS_ID

100000155412

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

MERCK INDEX

m4869

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

Merck Index

WIKIPEDIA

Eliglustat

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

INN

9325

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

CHEBI

82752

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

DRUG BANK

DB09039

Created by admin on Fri Dec 15 18:50:24 UTC 2023 , Edited by admin on Fri Dec 15 18:50:24 UTC 2023

PRIMARY

Related Record Type Details


					N0493335P3

ELIGLUSTAT TARTRATE

SALT/SOLVATE -> PARENT


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> INHIBITOR

Comments:

Eliglustat also exhibited time-dependent inhibition (TDI) of CYP2D6.

Qualification:

Ki

Amount:


					DR40J4WA67

EXCRETED UNCHANGED

Comments:

Mass balance study (GZGD02107) indicated that about 42% of the radioactive dose was recovered in urine and 51% in feces from healthy subjects who are EMs. Less than 1% total radioactivity of unchanged eliglustat was found in urine and feces, suggesting that metabolism is the primary elimination pathway for eliglustat.

Qualification:

FECAL; URINE

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					NYE1YH8MV4

CERAMIDE GLUCOSYLTRANSFERASE

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR

Qualification:

Ki

Amount:

Related Record Type Details


					F87D8YTL4V

7-(((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(PYRROLIDIN-1-YLMETHYL)ETHYL)AMINO)-7-OXO-HEPTANOIC ACID

METABOLITE INACTIVE -> PARENT

Qualification:

PLASMA; URINE


					PD25S4ZNF6

METABOLITE -> PARENT

Qualification:

PLASMA; URINE

Related Record Type Details


					DR40J4WA67

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC				INTRAVENOUS ADMINISTRATION in CYP2D6 extensive metabolizers (EMs)

Tmax	PHARMACOKINETIC				MULTIPLE DOSES in CYP2D6 extensive metabolizers (EMs)

Biological Half-life	PHARMACOKINETIC				in CYP2D6 extensive metabolizers (EMs)