ROLAFAGREL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H12N2O2
Molecular Weight	240.2573
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=C2CCC(=CC2=C1)N3C=CN=C3

InChI

InChIKey=DQEDSIVMYUUZCK-UHFFFAOYSA-N

InChI=1S/C14H12N2O2/c17-14(18)11-2-1-10-3-4-13(8-12(10)7-11)16-6-5-15-9-16/h1-2,5-9H,3-4H2,(H,17,18)

HIDE SMILES / InChI

Molecular Formula	C14H12N2O2
Molecular Weight	240.2573
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/7867681 | https://www.ncbi.nlm.nih.gov/pubmed/8473553 | https://www.ncbi.nlm.nih.gov/pubmed/1825400 | https://adisinsight.springer.com/drugs/800001438

Rolafagrel (FCE 22178) is a selective thromboxane synthase inhibitor that has been evaluated for use in the treatment of diabetic nephropathy and thrombosis. Rolafagrel inhibits platelet and glomerular thromoxane synthase in animal and human kidney disease. A phase I clinical trial did not report drug-related adverse events. No information is available on current use of rolafagrel.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Thromboxane-A synthase 21 Target ID: P24557\|\|\|Q8IUN1\|\|\|Q9HD82 Gene ID: 6916.0 Gene Symbol: TBXAS1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/8473553	Inhibitor 8297

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:33:45 GMT 2023` Edited by `admin` on `Fri Dec 15 15:33:45 GMT 2023`
Record UNII	OAH71568Y4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROLAFAGREL

Official Name

English

rolafagrel [INN]

Common Name

English

5,6-DIHYDRO-7-IMIDAZOL-1-YL-2-NAPHTHOIC ACID

Systematic Name

English

Rolafagrel [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C471