EPACADOSTAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13BrFN7O4S
Molecular Weight	438.233
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of EPACADOSTAT

Structure Search

SMILES

NS(=O)(=O)NCCNC1=NON=C1\C(NC2=CC(Br)=C(F)C=C2)=N\O

InChI

InChIKey=FBKMWOJEPMPVTQ-UHFFFAOYSA-N

InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)

HIDE SMILES / InChI

Molecular Formula	C11H13BrFN7O4S
Molecular Weight	438.233
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:09:40 UTC 2023` Edited by `admin` on `Sat Dec 16 09:09:40 UTC 2023`
Record UNII	71596A9R13
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EPACADOSTAT

Official Name

English

INCB-024360

Code

English

1,2,5-OXADIAZOLE-3-CARBOXIMIDAMIDE, 4-((2-((AMINOSULFONYL)AMINO)ETHYL)AMINO)-N'-(3-BROMO-4-FLUOROPHENYL)-N-HYDROXY-

Systematic Name

English

EPACADOSTAT [USAN]

Common Name

English

epacadostat [INN]

Common Name

English

EPACADOSTAT [JAN]

Common Name

English

1,2,5-OXADIAZOLE-3-CARBOXIMIDAMIDE, 4-((2-((AMINOSULFONYL)AMINO)ETHYL)AMINO)-N-(3-BROMO-4-FLUOROPHENYL)-N'-HYDROXY-

Systematic Name

English

INCB024360

Code

English

1,2,5-OXADIAZOLE-3-CARBOXIMIDAMIDE, 4-((2-((AMINOSULFONYL)AMINO)ETHYL)AMINO)-N-(3-BROMO-4-FLUOROPHENYL)-N'-HYDROXY-, (C(Z))-

Systematic Name

English

Epacadostat [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129820

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

NCI_THESAURUS

C141137

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

FDA ORPHAN DRUG

493015

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

WHO-ATC

L01XX58

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

Code System Code Type Description

CAS

1204669-37-3

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

INN

10180

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

FDA UNII

71596A9R13

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

DRUG BANK

DB11717

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

USAN

BC-144

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

NCI_THESAURUS

C92582

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

EVMPD

SUB182018

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

SMS_ID

100000168552

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

PUBCHEM

135564890

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

CAS

1204669-58-8

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

CAS

1220975-17-6

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

NO STRUCTURE GIVEN

WIKIPEDIA

Epacadostat

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545369

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

EPA CompTox

DTXSID201318248

Created by admin on Sat Dec 16 09:09:40 UTC 2023 , Edited by admin on Sat Dec 16 09:09:40 UTC 2023

PRIMARY

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TRANSPORTER -> SUBSTRATE


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE

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					ZC67ZCW3A8

(2S,3S,4S,5R,6S)-6-((E)-((3-BROMO-4-FLUORO-ANILINO)-(4-(2-(SULFAMOYLAMINO)ETHYLAMINO)-1,2,5-OXADIAZOL-3-YL)METHYLENE)AMINO)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE INACTIVE -> PARENT

Qualification:

PLASMA


					UQY8XG4GYL

4-AMINO-N-(3-BROMO-4-FLUOROPHENYL)-1,2,5-OXADIAZOLE-3-CARBOXIMIDAMIDE

METABOLITE INACTIVE -> PARENT

Qualification:

PLASMA


					C4CG77FGM3

METABOLITE INACTIVE -> PARENT

Related Record Type Details


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ACTIVE MOIETY