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ConjuPepDB ID: cpd00496

Chemical structure


molecule
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cpd00496


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XRKI Benzoic acid, 4-[(Z)-[3-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-
Identification
ConjuPepDB ID

cpd00496

Smiles
Inchi Key

InChIKey=GIHNWUUWLHSPCV-MYUTVYAHSA-N

Molecular weight

769.32

Molecular formula

C36H48FN9O5S2

Chemical name
Peptide information
Sequence (one letter)

XRKI

Length

4

Peptide name

N/A

External ID
CAS number

1474052-68-0

Other information
Application

Antimicrobial, antiviral, dengue virus protease inhibitor

Pharmacological class

antimicrobial, antiviral

Conjugate type

amide

Linker

no

Small molecule

Benzoic acid, 4-[(Z)-[3-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-

Small molecule CAS

1474053-34-3

Small molecule structure

Calculated properties
LogP

2.16173

Rotatable bonds

21

H bond donor

7

H bond acceptor

9

Polar surface area (PSA)

241.12000

Citations
ID Title Year Authors Journal DOI

Cpdart0080

Thiazolidinone-Peptide Hybrids as Dengue Virus Protease Inhibitors with Antiviral Activity in Cell Culture

2013

Nitsche, Christoph; Schreier, Verena N.; Behnam, Mira A. M.; Kumar, Anil; Bartenschlager, Ralf; Klein, Christian D.

Journal of Medicinal Chemistry

..