Details of the Drug

General Information of Drug (ID: DMB1OAR)

Drug Name
LY-73497
Synonyms
LY73497; Thiourea, N-(2-phenylethyl)-N'-2-thiazolyl-; LY 73497; 149485-30-3; LY-73497; CHEMBL33981; AC1MHDK1; MLS001243522; SCHEMBL1520344; BDBM1894; DTXSID90164286; HMS3338J14; HMS2211G04; 1-Phenethyl-3-thiazol-2-yl-thiourea; AKOS030011215; NCGC00247398-01; SMR000841574; Phenylethylthiazolylthiourea (PETT) Analog; N-(2-phenethyl)-N -(2-thiazolyl)thiourea; 1-phenethyl-3-(1,3-thiazol-2-yl)thiourea
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 263.4
Topological Polar Surface Area (xlogp) 2.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H13N3S2
IUPAC Name
1-(2-phenylethyl)-3-(1,3-thiazol-2-yl)thiourea
Canonical SMILES
C1=CC=C(C=C1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C12H13N3S2/c16-11(15-12-14-8-9-17-12)13-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,13,14,15,16)
InChIKey
ANUSGJXVCFPWMQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3001082
CAS Number
149485-30-3
TTD ID
D0L9PF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Reverse transcriptase (HIV RT) TT84ETX POL_HV1B1 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Phenethylthiazolethiourea (PETT) compounds, a new class of HIV-1 reverse transcriptase inhibitors. 1. Synthesis and basic structure-activity relati... J Med Chem. 1995 Dec 8;38(25):4929-36.
2 Antiviral drugs in current clinical use. J Clin Virol. 2004 Jun;30(2):115-33.
3 HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.Nat Struct Mol Biol.2012 Jan 22;19(2):253-9.
4 A peptide inhibitor of HIV-1 reverse transcriptase using alpha,beta-dehydro residues: a structure-based computer model. J Biomol Struct Dyn. 1998 Oct;16(2):347-54.
5 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
6 Quadruple nucleos(t)ide reverse transcriptase inhibitors-only regimen of tenofovir plus zidovudine/lamivudine/abacavir in heavily pre-treated HIV-1 infected patients: salvage therapy or backbone only Curr HIV Res. 2009 May;7(3):320-6.
7 Emerging antiviral drugs. Expert Opin Emerg Drugs. 2008 Sep;13(3):393-416.
8 2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.