Details of the Drug

General Information of Drug (ID: DMHZ256)

Drug Name

N-(5-chloro-2-(phenylthio)phenyl)butyramide

Synonyms

CHEMBL371088; N-(5-chloro-2-(phenylthio)phenyl)butyramide

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): 1

Molecular Weight (mw)

305.8

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H16ClNOS
IUPAC Name: N-(5-chloro-2-phenylsulfanylphenyl)butanamide
Canonical SMILES: CCCC(=O)NC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2
InChI: InChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)
InChIKey: XBVVQFDKYKYIDI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Trypanosoma Trypanothione reductase (Trypano TPR)	TTRTKPV	TYTR_TRYBB	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antitrypanosomal, antileishmanial, and antimalarial activities of quaternary arylalkylammonium 2-amino-4-chlorophenyl phenyl sulfides, a new class ... J Med Chem. 2005 Dec 15;48(25):8087-97.