Details of the Drug

General Information of Drug (ID: DMN80XD)

Drug Name

PT-313

Synonyms

Thiourea, N-(4-methyl-2-thiazolyl)-N'-(2-phenylethyl)-; 149485-00-7; PETT Analog 37; PT-313; AC1MHDKO; SCHEMBL8885589; CHEMBL254628; BDBM1870; DTXSID50164282; ZINC13744891; AKOS030011211; 1-Phenethyl-3-(4-methyl-2-thiazolyl)thiourea; 1-(4-methylthiazol-2-yl)-3-phenethyl-thiourea; N-(2-Phenethyl)-N -(2-(4-methylthiazolyl))thiourea; 1-(4-methyl-1,3-thiazol-2-yl)-3-phenethylthiourea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

277.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H15N3S2
IUPAC Name: 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea
Canonical SMILES: CC1=CSC(=N1)NC(=S)NCCC2=CC=CC=C2
InChI: InChI=1S/C13H15N3S2/c1-10-9-18-13(15-10)16-12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKey: ZIPXZWMTOPUETF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3001105
CAS Number: 149485-00-7
TTD ID: D04BHR

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.