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View Conjugates details

ConjuPepDB ID: cpd00482

Chemical structure


molecule
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cpd00482


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XRKI (5Z)-5-[(3,4-Dimethoxyphenyl)methylene]-2-thioxo-4-thiazolidinone
Identification
ConjuPepDB ID

cpd00482

Smiles
Inchi Key

InChIKey=SVINYGSPLMUFNM-FSDRQIFMSA-N

Molecular weight

825.367

Molecular formula

C39H55N9O7S2

Chemical name
Peptide information
Sequence (one letter)

XRKI

Length

4

Peptide name

N/A

External ID
CAS number

1474052-92-0

Other information
Application

Antimicrobial, antiviral, dengue virus protease inhibitor

Pharmacological class

antimicrobial, antiviral

Conjugate type

amide

Linker

no

Small molecule

(5Z)-5-[(3,4-Dimethoxyphenyl)methylene]-2-thioxo-4-thiazolidinone

Small molecule CAS

948016-52-2

Small molecule structure

Calculated properties
LogP

1.94258

Rotatable bonds

24

H bond donor

7

H bond acceptor

11

Polar surface area (PSA)

259.58000

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

..