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ConjuPepDB ID: cpd00463

Chemical structure


molecule
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cpd00463


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

cpd00463

Smiles
Inchi Key

InChIKey=XNYXTKYZDRNHDM-TZBNLSNDSA-N

Molecular weight

749.368

Molecular formula

C37H51N9O6S

Chemical name
Peptide information
Sequence (one letter)

XRKI

Length

4

Peptide name

N/A

External ID
CAS number

1474053-11-6

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-methylphenyl)methyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-

Small molecule CAS

1474053-32-1

Small molecule structure

Calculated properties
LogP

1.64249

Rotatable bonds

21

H bond donor

7

H bond acceptor

10

Polar surface area (PSA)

258.19000

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

..