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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11NO3
Molecular Weight 253.2527
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUREGRELATE

SMILES

OC(=O)C1=CC2=C(O1)C=CC(CC3=CC=CN=C3)=C2

InChI

InChIKey=VHWFITPGPFLBGT-UHFFFAOYSA-N
InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)

HIDE SMILES / InChI
Furegrelate (previously known as U-63557A), a selective orally active thromboxane synthase inhibitor, with potential for the treatment of various diseases including hypertension, thrombosis, and renal disorders, arrhythmias, but these studies were discontinued.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P24557|||Q8IUN1|||Q9HD82
Gene ID: 6916.0
Gene Symbol: TBXAS1
Target Organism: Homo sapiens (Human)
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Inhibition of platelet thromboxane A2 synthase activity by sodium 5-(3'-pyridinylmethyl)benzofuran-2-carboxylate.
1983 Aug

Sample Use Guides

The absorption and disposition of the parent drug in normal male volunteers have been studied after single- and multiple-dose oral administration. The results from the single-dose study indicate that furegrelate is rapidly absorbed, with a Tmax of 1.0-1.7 hr, has an apparent terminal disposition rate constant of 0.12-0.17 hr-1, and is eliminated primarily by the kidney, with 62-78% of the dose excreted as parent drug
Route of Administration: Oral
In Vitro Use Guide
Curator's Comment: U-63557A (furegrelate) could potentiate the effects of Eicosapentaenoic acid (EPA) on postischemic cerebral blood flow (CBF) in ischemic gerbils. Ischemia was produced by bilateral carotid artery occlusion for 15 minutes followed by reperfusion for 2 hours
Unknown
Name Type Language
FUREGRELATE
INN  
INN  
Official Name English
furegrelate [INN]
Common Name English
5-(3-PYRIDYLMETHYL)-2-BENZOFURANCARBOXYLATE
Systematic Name English
2-BENZOFURANCARBOXYLIC ACID, 5-(3-PYRIDINYLMETHYL)-
Common Name English
5-(3-PYRIDYLMETHYL)-2-BENZOFURANCARBOXYLIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C471
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
NCI_THESAURUS C1327
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C72789
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID7046960
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
CAS
85666-24-6
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
WIKIPEDIA
Furegrelate
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
SMS_ID
100000080698
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
FDA UNII
KX4D9BZA6X
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
ChEMBL
CHEMBL1204948
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
PUBCHEM
3437
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
MESH
C039936
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
INN
5742
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY
EVMPD
SUB07838MIG
Created by admin on Sat Dec 16 16:33:15 GMT 2023 , Edited by admin on Sat Dec 16 16:33:15 GMT 2023
PRIMARY