VORAPAXAR

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H33FN2O4
Molecular Weight	492.5817
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of VORAPAXAR

Structure Search

SMILES

[H][C@@]12C[C@]3([H])C[C@@]([H])(CC[C@@]3([H])[C@]([H])(\C=C\C4=CC=C(C=N4)C5=CC(F)=CC=C5)[C@]1([H])[C@@H](C)OC2=O)NC(=O)OCC

InChI

InChIKey=ZBGXUVOIWDMMJE-QHNZEKIYSA-N

InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H33FN2O4
Molecular Weight	492.5817
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:47:54 UTC 2023` Edited by `admin` on `Fri Dec 15 19:47:54 UTC 2023`
Record UNII	ZCE93644N2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VORAPAXAR

Official Name

English

VORAPAXAR [USAN]

Common Name

English

VORAPAXAR [VANDF]

Common Name

English

VORAPAXAR [MART.]

Common Name

English

vorapaxar [INN]

Common Name

English

CARBAMIC ACID,((1R,3AR,4AR,6R,8AR,9S,9AS)-9-((1E)-2-(5-(3-FLUOROPHENYL)-2-PYRIDINYL)ETHENYL)DODECAHYDRO-1-METHYL-3-OXONAPHTHO(2,3-C)FURAN-6-YL)-,ETHYL ESTER

Common Name

English

VORAPAXAR [MI]

Common Name

English

Vorapaxar [WHO-DD]

Common Name

English

ETHYL ((1R,3AR,4AR,6R,8AR,9S,9AS)-9-((1E)-2-(5-(3-FLUOROPHENYL)PYRIDINE-2-YL)ETHEN-1-YL)-1-METHYL-3-OXODODECAHYDRONAPHTHO(2,3-C)FURAN-6-YL)CARBAMATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78274

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

NCI_THESAURUS

C1327

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

WHO-ATC

B01AC26

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

NDF-RT

N0000190996

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

Code System Code Type Description

DRUG CENTRAL

4870

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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NDF-RT

N0000190995

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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Protease-activated Receptor-1 Antagonists [MoA]

DAILYMED

ZCE93644N2

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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CHEBI

82702

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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ChEMBL

CHEMBL493982

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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CAS

618385-01-6

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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RXCUI

1537034

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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RxNorm

NCI_THESAURUS

C152912

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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MERCK INDEX

m11500

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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Merck Index

SMS_ID

100000139516

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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INN

8852

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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IUPHAR

4047

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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PUBCHEM

10077130

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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DRUG BANK

DB09030

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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MESH

C530299

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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USAN

YY-21

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

PRIMARY

EPA CompTox

DTXSID201009336

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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WIKIPEDIA

VORAPAXAR

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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EVMPD

SUB88191

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

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FDA UNII

ZCE93644N2

Created by admin on Fri Dec 15 19:47:54 UTC 2023 , Edited by admin on Fri Dec 15 19:47:54 UTC 2023

PRIMARY

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					848C605P1X

CYTOCHROME P450 2J2

METABOLIC ENZYME -> SUBSTRATE

Amount:


					ZCE93644N2

VORAPAXAR

EXCRETED UNCHANGED

Comments:

Based on a mass balance study, <2% of vorapaxar is excreted unchanged in feces and none in urine.

Qualification:

FECAL

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:


					IN66038E6C

VORAPAXAR SULFATE

SALT/SOLVATE -> PARENT

Amount:


					990CCI0EDF

PROTEINASE-ACTIVATED RECEPTOR 1

TARGET -> INHIBITOR

Comments:

Blocks thrombin activation of receptor on platelets

Qualification:

Ki

Amount:

Related Record Type Details


					9D8C5T8E6W

METABOLITE ACTIVE -> PARENT

Comments:

20% OF THE CIRCULATING DRUG

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:

Related Record Type Details


					ZCE93644N2

VORAPAXAR

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC