Details of the Drug

General Information of Drug (ID: DMER0IY)

Drug Name

1-(1-Phenyl-propyl)-3-thiazol-2-yl-thiourea

Synonyms

CHEMBL151773; AC1MHEIH; 1-(1-Phenyl-propyl)-3-thiazol-2-yl-thiourea; SCHEMBL6284442; BDBM50097039; 1-(1-phenylpropyl)-3-thiazol-2-yl-thiourea; N-(alpha-Ethylbenzyl]-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)

277.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H15N3S2
IUPAC Name: 1-(1-phenylpropyl)-3-(1,3-thiazol-2-yl)thiourea
Canonical SMILES: CCC(C1=CC=CC=C1)NC(=S)NC2=NC=CS2
InChI: InChI=1S/C13H15N3S2/c1-2-11(10-6-4-3-5-7-10)15-12(17)16-13-14-8-9-18-13/h3-9,11H,2H2,1H3,(H2,14,15,16,17)
InChIKey: PBDIRHCFDNJKQO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3003038
TTD ID: D0H4PN

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	Anti-HIV activity of aromatic and heterocyclic thiazolyl thiourea compounds. Bioorg Med Chem Lett. 2001 Feb 26;11(4):523-8.