Details of the Drug

General Information of Drug (ID: DM7FM8V)

Drug Name

PT-308

Synonyms

149485-75-6; Thiourea, N-(2-(2-chlorophenyl)ethyl)-N'-2-thiazolyl-; Thiourea, N-[2-(2-chlorophenyl)ethyl]-N'-2-thiazolyl-; PETT Analog 12; PT-308; AC1MHDMI; SCHEMBL6953553; BDBM1905; CHEMBL102957; DTXSID80164290; 1-[2-(2-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea; AKOS030030937; 1-(2-Thiazolyl)-3-[2-chlorophenethyl]thiourea; 1-[2-(2-chlorophenyl)ethyl]-3-thiazol-2-yl-thiourea; N-(2-(2-Chlorophenethyl))-N -(2-thiazolyl)thiourea

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)

297.8

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H12ClN3S2
IUPAC Name: 1-[2-(2-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Canonical SMILES: C1=CC=C(C(=C1)CCNC(=S)NC2=NC=CS2)Cl
InChI: InChI=1S/C12H12ClN3S2/c13-10-4-2-1-3-9(10)5-6-14-11(17)16-12-15-7-8-18-12/h1-4,7-8H,5-6H2,(H2,14,15,16,17)
InChIKey: KRROCUPDKUFLSH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3001171
CAS Number: 149485-75-6
TTD ID: D0I7HP

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.