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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13BrN4S.ClH
Molecular Weight 373.699
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TROVIRDINE HYDROCHLORIDE

SMILES

Cl.BrC1=CC=C(NC(=S)NCCC2=CC=CC=N2)N=C1

InChI

InChIKey=IUQKLSJRANLIKE-UHFFFAOYSA-N
InChI=1S/C13H13BrN4S.ClH/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11;/h1-5,7,9H,6,8H2,(H2,16,17,18,19);1H

HIDE SMILES / InChI

Description

Trovirdine [LY 300046, LY 300082, PETT 1] is a NNRT inhibitor of HIV-1 RT, which progressed through Phase II trials for the treatment of HIV infection. Trovirdine inhibits HIV-1 RT with an IC50 of 7 nM. Cell culture experiments demonstrated that LY300046 was a potent inhibitor of the replication of HIV-1 in human T-cell lines and human PBL, including spread of the virus from infected to uninfected T cells. It was potent against patient isolates as well as laboratory isolates of HIV-1 but was not active against HIV-2 or simian immunodeficiency virus.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
7.0 nM [IC50]

PubMed

Sample Use Guides

In Vivo Use Guide
Rats were administered a single 20-mg/kg oral dose of Trovirdine [LY 300046].
Route of Administration: Oral
In Vitro Use Guide
Trovirdine inhibits HIV-1 RT with an IC50 of 7 nM when employing heteropolymeric primer/template (oligo-DNA/ribosomal RNA)and dGTP as substrate.