U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H10Br2N2O3
Molecular Weight 414.049
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPAMINURAD

SMILES

OC1=C(Br)C=C(C=C1Br)C(=O)N2CCOC3=CC=NC=C23

InChI

InChIKey=ZMVGQIIOXCGAFV-UHFFFAOYSA-N
InChI=1S/C14H10Br2N2O3/c15-9-5-8(6-10(16)13(9)19)14(20)18-3-4-21-12-1-2-17-7-11(12)18/h1-2,5-7,19H,3-4H2

HIDE SMILES / InChI

Molecular Formula C14H10Br2N2O3
Molecular Weight 414.049
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 14:51:39 UTC 2023
Edited
by admin
on Sat Dec 16 14:51:39 UTC 2023
Record UNII
0YP1ME85GH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPAMINURAD
INN  
Official Name English
METHANONE, (3,5-DIBROMO-4-HYDROXYPHENYL)(2,3-DIHYDRO-4H-PYRIDO(4,3-B)-1,4-OXAZIN-4-YL)-
Systematic Name English
epaminurad [INN]
Common Name English
(3,5-DIBROMO-4-HYDROXYPHENYL)(2,3-DIHYDRO-4H-PYRIDO(4,3-B)-1,4-OXAZIN-4-YL)METHANONE
Systematic Name English
UR-1102
Code English
Code System Code Type Description
NCI_THESAURUS
C166441
Created by admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
PRIMARY
INN
10723
Created by admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
PRIMARY
CAS
1198153-15-9
Created by admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
PRIMARY
SMS_ID
100000181109
Created by admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
PRIMARY
PUBCHEM
44608229
Created by admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
PRIMARY
FDA UNII
0YP1ME85GH
Created by admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SELECTIVE
Ki
OFF-TARGET->INHIBITOR
PAH uptake by HEK293 cells transiently expressing OAT1
WEAK INHIBITOR
Ki
OFF-TARGET->INHIBITOR
PAH uptake by HEK293 cells transiently expressing OAT3
WEAK INHIBITOR
Ki
Related Record Type Details
ACTIVE MOIETY