VERINURAD

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H16N2O2S
Molecular Weight	348.418
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VERINURAD

Structure Search

SMILES

CC(C)(SC1=C(C=NC=C1)C2=C3C=CC=CC3=C(C=C2)C#N)C(O)=O

InChI

InChIKey=YYBOLPLTQDKXPM-UHFFFAOYSA-N

InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula	C20H16N2O2S
Molecular Weight	348.418
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:56:45 UTC 2023` Edited by `admin` on `Sat Dec 16 07:56:45 UTC 2023`
Record UNII	12WJ62D047
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERINURAD

Official Name

English

Verinurad [WHO-DD]

Common Name

English

verinurad [INN]

Common Name

English

VERINURAD [USAN]

Common Name

English

PROPANOIC ACID, 2-((3-(4-CYANO-1-NAPHTHALENYL)-4-PYRIDINYL)THIO)-2-METHYL-

Systematic Name

English

RDEA-3170

Code

English

RDEA3170

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C921

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

Code System Code Type Description

SMS_ID

300000022774

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

CAS

1352792-74-5

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

USAN

DE-45

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

NCI_THESAURUS

C152863

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

PUBCHEM

54767229

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

ChEMBL

CHEMBL3707347

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

DRUG BANK

DB11873

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

FDA UNII

12WJ62D047

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

INN

9938

Created by admin on Sat Dec 16 07:56:46 UTC 2023 , Edited by admin on Sat Dec 16 07:56:46 UTC 2023

PRIMARY

Related Record Type Details


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					O9NNS94T6B

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B4

METABOLIC ENZYME -> SUBSTRATE


					0M77ZW789J

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B7

METABOLIC ENZYME -> SUBSTRATE


					IHQ709299P

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3

METABOLIC ENZYME -> SUBSTRATE


					12WJ62D047

VERINURAD

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					S5EY2C8G0B

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A8

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					LGG1US7EOD

OATL-4

TARGET -> INHIBITOR

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE


					12WJ62D047

VERINURAD

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					W80H4WI8LW

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B17

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					WT8RGZ52JT

(2S,3S,4S,5R,6S)-6-(2-((3-(4-CYANO-1-NAPHTHYL)-4-PYRIDYL)SULFANYL)-2-METHYL-PROPANOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Comments:

The formation of M1 was mediated by several UGTs, namely UGT1A3, UGT2B4, UGT2B7, and UGT2B17.

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:


					NA4V86GT4N

2-(3-(4-CYANO-1-NAPHTHYL)-1-OXIDO-PYRIDIN-1-IUM-4-YL)SULFANYL-2-METHYL-PROPANOIC ACID

METABOLITE -> PARENT

Interaction Type:

TRACE LEVELS

Qualification:

URINE

Related Record Type Details


					12WJ62D047

VERINURAD

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION SINGLE DOSE

Biological Half-life	PHARMACOKINETIC				SINGLE DOSE ORAL ADMINISTRATION

Volume of Distribution	PHARMACOKINETIC