Details of the Drug

General Information of Drug (ID: DMV940C)

Drug Name

PT-320

Synonyms

PETT Analog 7; PT-320; AC1MHDMD; SCHEMBL6958741; BDBM1900; CHEMBL254206; ZINC13744849; AKOS030013220; 1-(2-Thiazolyl)-3-[4-methoxyphenethyl]thiourea; N-[2-(4-Methoxyphenethyl)]-N'-(2-thiazolyl)thiourea; N-(2-(4-Methoxyphenethyl))-N -(2-thiazolyl)thiourea; 1-[2-(4-methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea; 1-[2-(4-methoxyphenyl)ethyl]-3-1,3-thiazol-2-ylthiourea

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

293.4

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H15N3OS2
IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Canonical SMILES: COC1=CC=C(C=C1)CCNC(=S)NC2=NC=CS2
InChI: InChI=1S/C13H15N3OS2/c1-17-11-4-2-10(3-5-11)6-7-14-12(18)16-13-15-8-9-19-13/h2-5,8-9H,6-7H2,1H3,(H2,14,15,16,18)
InChIKey: HJPBSTWTSQIWNI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3001166
TTD ID: D0E3PF

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)

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.