The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

tolrestat

Synonyms

2-{1-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid

C16H14F3NO3S

ID

http://purl.obolibrary.org/obo/dinto_DB02383

ATCCode

A10XA01

binds

http://purl.obolibrary.org/obo/dinto_2716

http://purl.obolibrary.org/obo/dinto_0459

http://purl.obolibrary.org/obo/dinto_0461

CASRN

82964-04-3

DBBrand

alredase

Definition

Tolrestat (INN) (AY-27773) is an aldose reductase inhibitor which was approved for the control of certain diabetic complications. While it was approved for marketed in several countries, it failed a Phase III trial in the U.S. due to toxicity and never received FDA approval. It was discontinued by Wyeth in 1997 because of the risk of severe liver toxicity and death. It was sold under the tradename Alredase. [Wikipedia]

InChI

InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)

InChIKey

InChIKey=LUBHDINQXIHVLS-UHFFFAOYSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_2716

label

tolrestat

prefixIRI

obo2:dinto_DB02383

prefLabel

tolrestat

related with

http://purl.obolibrary.org/obo/dinto_0459

http://purl.obolibrary.org/obo/dinto_0461

SMILES

COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F

Synonym

2-{1-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid

C16H14F3NO3S

xref

BindingDB:16314

Wikipedia:http://en.wikipedia.org/wiki/Tolrestat

PDB:TOL

ChemSpider:48194

PubChem Compound:53359

ChEBI:48549

PubChem Substance:46508274

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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